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/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SLEV-bf5cf869/inputs/seq.fa: 1
curr_seq: _UGCUGCGGACACCCUGUAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGCUGCGGACACCCUGUAUCU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -78.564951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.564951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.564951 (E_RNA)
where:
Base-Base interactions energy: -0.382
where: short stacking energy: -0.382
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -131.505804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.505804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.505804 (E_RNA)
where:
Base-Base interactions energy: -54.906
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.006
local terms energy: -76.593787
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -116.995486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.995486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.995486 (E_RNA)
where:
Base-Base interactions energy: -45.819
where: short stacking energy: -45.819
Base-Backbone interact. energy: -0.710
local terms energy: -70.466550
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -12.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -113.461802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.461802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.461802 (E_RNA)
where:
Base-Base interactions energy: -49.048
where: short stacking energy: -49.048
Base-Backbone interact. energy: -0.094
local terms energy: -64.320477
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -13.935
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -105.432215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.432215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.432215 (E_RNA)
where:
Base-Base interactions energy: -46.536
where: short stacking energy: -46.536
Base-Backbone interact. energy: -0.041
local terms energy: -58.855679
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -11.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -101.581881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.581881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.581881 (E_RNA)
where:
Base-Base interactions energy: -43.767
where: short stacking energy: -43.767
Base-Backbone interact. energy: -0.007
local terms energy: -57.807550
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -97.622141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.622141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.622141 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -20.662
Base-Backbone interact. energy: -0.127
local terms energy: -56.795369
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -105.310255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.310255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.310255 (E_RNA)
where:
Base-Base interactions energy: -55.314
where: short stacking energy: -29.858
Base-Backbone interact. energy: -0.208
local terms energy: -49.788071
where:
bonds (distance) C4'-P energy: -4.415
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -4.929
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -101.056509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.056509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.056509 (E_RNA)
where:
Base-Base interactions energy: -41.047
where: short stacking energy: -41.047
Base-Backbone interact. energy: -0.077
local terms energy: -59.932467
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -8.712
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -96.632887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.632887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.632887 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.006
local terms energy: -60.156011
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -10.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -85.922565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.922565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.922565 (E_RNA)
where:
Base-Base interactions energy: -28.305
where: short stacking energy: -24.170
Base-Backbone interact. energy: -0.554
local terms energy: -57.063764
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -3.795
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: 3
Temperature: 0.900000
Total energy: -190.729965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.729965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.729965 (E_RNA)
where:
Base-Base interactions energy: -116.312
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.005
local terms energy: -74.413651
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -146.157083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.157083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.157083 (E_RNA)
where:
Base-Base interactions energy: -85.722
where: short stacking energy: -51.169
Base-Backbone interact. energy: -0.618
local terms energy: -59.816660
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -12.298
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -150.118633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.118633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.118633 (E_RNA)
where:
Base-Base interactions energy: -84.824
where: short stacking energy: -55.033
Base-Backbone interact. energy: 0.094
local terms energy: -65.389260
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -113.430385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.430385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.430385 (E_RNA)
where:
Base-Base interactions energy: -59.623
where: short stacking energy: -43.685
Base-Backbone interact. energy: -0.928
local terms energy: -52.879564
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -107.970309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.970309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.970309 (E_RNA)
where:
Base-Base interactions energy: -47.148
where: short stacking energy: -42.136
Base-Backbone interact. energy: 0.359
local terms energy: -61.181373
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -8.785
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -167.419362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.419362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.419362 (E_RNA)
where:
Base-Base interactions energy: -101.897
where: short stacking energy: -46.769
Base-Backbone interact. energy: -0.126
local terms energy: -65.395581
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -11.127
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: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -85.179320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179320 (E_RNA)
where:
Base-Base interactions energy: -35.229
where: short stacking energy: -34.701
Base-Backbone interact. energy: 0.167
local terms energy: -50.117876
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -5.089
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -94.209827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.209827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.209827 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -27.750
Base-Backbone interact. energy: -0.159
local terms energy: -54.709009
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -80.189589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.189589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.189589 (E_RNA)
where:
Base-Base interactions energy: -28.933
where: short stacking energy: -20.975
Base-Backbone interact. energy: -0.019
local terms energy: -51.237947
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -4.908
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -85.891804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.891804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.891804 (E_RNA)
where:
Base-Base interactions energy: -40.786
where: short stacking energy: -32.511
Base-Backbone interact. energy: -0.128
local terms energy: -44.978076
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -8.118
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -189.657570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.657570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.657570 (E_RNA)
where:
Base-Base interactions energy: -117.773
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.082
local terms energy: -71.802530
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -164.332978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.332978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.332978 (E_RNA)
where:
Base-Base interactions energy: -95.647
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.041
local terms energy: -68.645390
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -183.484248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.484248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.484248 (E_RNA)
where:
Base-Base interactions energy: -117.482
where: short stacking energy: -49.472
Base-Backbone interact. energy: -0.405
local terms energy: -65.597727
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.179
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: 4, replica: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -114.866024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.866024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.866024 (E_RNA)
where:
Base-Base interactions energy: -56.225
where: short stacking energy: -54.229
Base-Backbone interact. energy: -0.043
local terms energy: -58.598270
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -124.822860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.822860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.822860 (E_RNA)
where:
Base-Base interactions energy: -61.472
where: short stacking energy: -43.037
Base-Backbone interact. energy: -0.018
local terms energy: -63.333055
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -11.397
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -165.888918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.888918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.888918 (E_RNA)
where:
Base-Base interactions energy: -95.186
where: short stacking energy: -54.471
Base-Backbone interact. energy: -0.011
local terms energy: -70.691889
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -11.084
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -98.595810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.595810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.595810 (E_RNA)
where:
Base-Base interactions energy: -42.589
where: short stacking energy: -42.589
Base-Backbone interact. energy: -0.069
local terms energy: -55.937910
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -9.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -88.151848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151848 (E_RNA)
where:
Base-Base interactions energy: -27.810
where: short stacking energy: -27.810
Base-Backbone interact. energy: -0.030
local terms energy: -60.311493
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -89.787099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.787099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.787099 (E_RNA)
where:
Base-Base interactions energy: -36.813
where: short stacking energy: -36.813
Base-Backbone interact. energy: -1.053
local terms energy: -51.921211
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -70.627034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.627034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.627034 (E_RNA)
where:
Base-Base interactions energy: -26.789
where: short stacking energy: -16.464
Base-Backbone interact. energy: -0.287
local terms energy: -43.551063
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -181.921123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.921123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.921123 (E_RNA)
where:
Base-Base interactions energy: -111.220
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.165
local terms energy: -70.536024
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -201.554254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.554254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.554254 (E_RNA)
where:
Base-Base interactions energy: -129.263
where: short stacking energy: -56.325
Base-Backbone interact. energy: -0.438
local terms energy: -71.854019
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -158.890282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.890282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.890282 (E_RNA)
where:
Base-Base interactions energy: -98.737
where: short stacking energy: -49.486
Base-Backbone interact. energy: -0.071
local terms energy: -60.082525
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -3.676
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -172.844484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.844484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.844484 (E_RNA)
where:
Base-Base interactions energy: -101.017
where: short stacking energy: -58.332
Base-Backbone interact. energy: -0.176
local terms energy: -71.651214
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -11.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -107.640863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.640863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.640863 (E_RNA)
where:
Base-Base interactions energy: -47.168
where: short stacking energy: -41.388
Base-Backbone interact. energy: -0.130
local terms energy: -60.342616
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -157.730237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.730237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.730237 (E_RNA)
where:
Base-Base interactions energy: -92.550
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.610
local terms energy: -64.570402
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -79.924166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.924166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.924166 (E_RNA)
where:
Base-Base interactions energy: -29.279
where: short stacking energy: -29.214
Base-Backbone interact. energy: -0.099
local terms energy: -50.546050
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -6.534
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: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -85.405047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.405047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.405047 (E_RNA)
where:
Base-Base interactions energy: -28.484
where: short stacking energy: -27.896
Base-Backbone interact. energy: -0.046
local terms energy: -56.875246
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -83.116446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116446 (E_RNA)
where:
Base-Base interactions energy: -37.435
where: short stacking energy: -34.024
Base-Backbone interact. energy: -0.312
local terms energy: -45.369530
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -92.572309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.572309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.572309 (E_RNA)
where:
Base-Base interactions energy: -38.820
where: short stacking energy: -31.419
Base-Backbone interact. energy: 0.043
local terms energy: -53.795880
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -214.074383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.074383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.074383 (E_RNA)
where:
Base-Base interactions energy: -138.329
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.313
local terms energy: -75.432265
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -185.899207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.899207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.899207 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -48.558
Base-Backbone interact. energy: -0.066
local terms energy: -63.070722
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -182.889295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.889295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.889295 (E_RNA)
where:
Base-Base interactions energy: -109.500
where: short stacking energy: -56.560
Base-Backbone interact. energy: -0.076
local terms energy: -73.313368
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -157.542883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.542883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.542883 (E_RNA)
where:
Base-Base interactions energy: -102.236
where: short stacking energy: -42.667
Base-Backbone interact. energy: -0.126
local terms energy: -55.181070
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -7.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -164.919285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.919285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.919285 (E_RNA)
where:
Base-Base interactions energy: -106.214
where: short stacking energy: -51.103
Base-Backbone interact. energy: -0.435
local terms energy: -58.270498
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -108.467432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.467432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.467432 (E_RNA)
where:
Base-Base interactions energy: -45.142
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.192
local terms energy: -63.133521
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -107.609123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.609123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.609123 (E_RNA)
where:
Base-Base interactions energy: -51.014
where: short stacking energy: -27.815
Base-Backbone interact. energy: -1.222
local terms energy: -55.373054
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -111.558766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.558766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.558766 (E_RNA)
where:
Base-Base interactions energy: -63.768
where: short stacking energy: -41.627
Base-Backbone interact. energy: -0.254
local terms energy: -47.536956
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -87.777014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.777014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.777014 (E_RNA)
where:
Base-Base interactions energy: -36.317
where: short stacking energy: -36.317
Base-Backbone interact. energy: -0.059
local terms energy: -51.401730
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -75.498719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.498719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.498719 (E_RNA)
where:
Base-Base interactions energy: -26.280
where: short stacking energy: -23.347
Base-Backbone interact. energy: -0.218
local terms energy: -49.001181
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -216.387789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.387789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.387789 (E_RNA)
where:
Base-Base interactions energy: -143.325
where: short stacking energy: -65.493
Base-Backbone interact. energy: -0.334
local terms energy: -72.728234
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -19.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -187.381198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.381198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.381198 (E_RNA)
where:
Base-Base interactions energy: -111.724
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.160
local terms energy: -75.496369
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -187.188691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.188691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.188691 (E_RNA)
where:
Base-Base interactions energy: -118.701
where: short stacking energy: -46.440
Base-Backbone interact. energy: 0.005
local terms energy: -68.492693
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -14.719
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: 7
Temperature: 1.050000
Total energy: -186.206385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.206385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.206385 (E_RNA)
where:
Base-Base interactions energy: -118.245
where: short stacking energy: -62.408
Base-Backbone interact. energy: -0.259
local terms energy: -67.702359
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -144.573535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.573535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.573535 (E_RNA)
where:
Base-Base interactions energy: -86.968
where: short stacking energy: -49.063
Base-Backbone interact. energy: -0.112
local terms energy: -57.492827
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -8.046
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -11.785
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: 7
Temperature: 1.150000
Total energy: -93.672402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.672402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.672402 (E_RNA)
where:
Base-Base interactions energy: -40.625
where: short stacking energy: -36.259
Base-Backbone interact. energy: -0.077
local terms energy: -52.970356
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -108.712388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.712388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.712388 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -40.242
Base-Backbone interact. energy: -1.362
local terms energy: -60.278333
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -83.773974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773974 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -15.876
Base-Backbone interact. energy: -0.184
local terms energy: -46.952508
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: 4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -81.209935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.209935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.209935 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -28.406
Base-Backbone interact. energy: -0.091
local terms energy: -45.992721
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -77.935686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.935686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.935686 (E_RNA)
where:
Base-Base interactions energy: -29.672
where: short stacking energy: -18.669
Base-Backbone interact. energy: 0.291
local terms energy: -48.554358
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: 1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -212.458243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.458243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.458243 (E_RNA)
where:
Base-Base interactions energy: -141.472
where: short stacking energy: -58.141
Base-Backbone interact. energy: 0.141
local terms energy: -71.127680
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -11.748
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -196.481127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.481127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.481127 (E_RNA)
where:
Base-Base interactions energy: -119.262
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.066
local terms energy: -77.153337
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -194.215085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.215085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.215085 (E_RNA)
where:
Base-Base interactions energy: -123.181
where: short stacking energy: -59.256
Base-Backbone interact. energy: -0.370
local terms energy: -70.663301
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -15.645
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: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -176.296345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.296345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.296345 (E_RNA)
where:
Base-Base interactions energy: -115.991
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.001
local terms energy: -60.304616
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -156.491746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.491746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.491746 (E_RNA)
where:
Base-Base interactions energy: -90.063
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.332
local terms energy: -66.096590
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -108.843650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.843650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.843650 (E_RNA)
where:
Base-Base interactions energy: -54.824
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.151
local terms energy: -53.869017
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -9.335
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: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -93.455172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.455172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.455172 (E_RNA)
where:
Base-Base interactions energy: -41.168
where: short stacking energy: -30.893
Base-Backbone interact. energy: -0.185
local terms energy: -52.102674
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.187
tors. eta vs tors. theta energy: -6.189
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: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -85.038217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.038217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.038217 (E_RNA)
where:
Base-Base interactions energy: -35.385
where: short stacking energy: -31.538
Base-Backbone interact. energy: 0.202
local terms energy: -49.855179
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -6.040
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -93.895319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.895319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.895319 (E_RNA)
where:
Base-Base interactions energy: -47.523
where: short stacking energy: -29.738
Base-Backbone interact. energy: -0.213
local terms energy: -46.159605
where:
bonds (distance) C4'-P energy: -8.344
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -74.512141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.512141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.512141 (E_RNA)
where:
Base-Base interactions energy: -25.682
where: short stacking energy: -26.034
Base-Backbone interact. energy: -0.116
local terms energy: -48.714189
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -217.377149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.377149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.377149 (E_RNA)
where:
Base-Base interactions energy: -149.680
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.576
local terms energy: -67.120343
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -203.657095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.657095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.657095 (E_RNA)
where:
Base-Base interactions energy: -134.237
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.604
local terms energy: -68.816041
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -11.449
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: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -173.075154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.075154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.075154 (E_RNA)
where:
Base-Base interactions energy: -101.216
where: short stacking energy: -60.243
Base-Backbone interact. energy: -0.328
local terms energy: -71.531135
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -168.763407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.763407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.763407 (E_RNA)
where:
Base-Base interactions energy: -107.778
where: short stacking energy: -51.177
Base-Backbone interact. energy: -0.006
local terms energy: -60.980130
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -149.216413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.216413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.216413 (E_RNA)
where:
Base-Base interactions energy: -88.318
where: short stacking energy: -43.599
Base-Backbone interact. energy: -0.389
local terms energy: -60.508844
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -118.702348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.702348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.702348 (E_RNA)
where:
Base-Base interactions energy: -62.350
where: short stacking energy: -31.042
Base-Backbone interact. energy: -0.031
local terms energy: -56.320770
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -89.503418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503418 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.368
local terms energy: -52.590425
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -120.504220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.504220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.504220 (E_RNA)
where:
Base-Base interactions energy: -63.014
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.158
local terms energy: -57.331686
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -5.610
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: 9, replica: 5
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -76.902842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.902842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.902842 (E_RNA)
where:
Base-Base interactions energy: -32.059
where: short stacking energy: -24.011
Base-Backbone interact. energy: -0.106
local terms energy: -44.737582
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: 0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -78.893943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.893943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.893943 (E_RNA)
where:
Base-Base interactions energy: -27.761
where: short stacking energy: -27.761
Base-Backbone interact. energy: 0.344
local terms energy: -51.476505
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -226.159850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.159850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.159850 (E_RNA)
where:
Base-Base interactions energy: -146.687
where: short stacking energy: -70.147
Base-Backbone interact. energy: -1.464
local terms energy: -78.008385
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -13.295
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: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -224.296519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.296519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.296519 (E_RNA)
where:
Base-Base interactions energy: -146.465
where: short stacking energy: -62.182
Base-Backbone interact. energy: -0.083
local terms energy: -77.747876
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -178.057297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.057297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.057297 (E_RNA)
where:
Base-Base interactions energy: -107.367
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.256
local terms energy: -70.434496
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -172.049630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.049630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.049630 (E_RNA)
where:
Base-Base interactions energy: -111.206
where: short stacking energy: -53.472
Base-Backbone interact. energy: -0.031
local terms energy: -60.812223
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.259
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: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -162.993549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.993549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.993549 (E_RNA)
where:
Base-Base interactions energy: -99.626
where: short stacking energy: -55.496
Base-Backbone interact. energy: 0.812
local terms energy: -64.178824
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -3.258
tors. eta vs tors. theta energy: -12.617
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: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -123.983284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.983284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.983284 (E_RNA)
where:
Base-Base interactions energy: -70.714
where: short stacking energy: -23.387
Base-Backbone interact. energy: -0.007
local terms energy: -53.262832
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -134.718064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.718064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.718064 (E_RNA)
where:
Base-Base interactions energy: -76.447
where: short stacking energy: -34.038
Base-Backbone interact. energy: -1.231
local terms energy: -57.040125
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.339
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: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -81.178179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.178179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.178179 (E_RNA)
where:
Base-Base interactions energy: -34.882
where: short stacking energy: -25.784
Base-Backbone interact. energy: -0.100
local terms energy: -46.195798
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -7.086
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: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -89.932747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.932747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.932747 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -36.218
Base-Backbone interact. energy: -0.026
local terms energy: -53.688231
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -6.994
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: 10, replica: 5
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -90.913352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.913352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.913352 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -38.614
Base-Backbone interact. energy: -0.686
local terms energy: -51.269726
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -8.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -225.881393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.881393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.881393 (E_RNA)
where:
Base-Base interactions energy: -148.235
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.052
local terms energy: -77.594633
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -19.204
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -223.042207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.042207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.042207 (E_RNA)
where:
Base-Base interactions energy: -144.573
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.982
local terms energy: -77.487342
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -21.278
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: 7
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -200.677325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.677325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.677325 (E_RNA)
where:
Base-Base interactions energy: -130.545
where: short stacking energy: -55.281
Base-Backbone interact. energy: -0.419
local terms energy: -69.712897
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -16.942
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: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -157.021255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.021255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.021255 (E_RNA)
where:
Base-Base interactions energy: -90.504
where: short stacking energy: -52.034
Base-Backbone interact. energy: -0.097
local terms energy: -66.420792
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -11.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -172.287497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.287497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.287497 (E_RNA)
where:
Base-Base interactions energy: -105.994
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.309
local terms energy: -65.984335
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -4.490
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: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -159.935214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.935214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.935214 (E_RNA)
where:
Base-Base interactions energy: -94.651
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.342
local terms energy: -64.942571
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -125.286232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.286232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.286232 (E_RNA)
where:
Base-Base interactions energy: -65.437
where: short stacking energy: -33.822
Base-Backbone interact. energy: 1.612
local terms energy: -61.460879
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.007
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -82.426828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.426828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.426828 (E_RNA)
where:
Base-Base interactions energy: -29.672
where: short stacking energy: -27.776
Base-Backbone interact. energy: 0.378
local terms energy: -53.133008
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -5.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -84.277056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.277056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.277056 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -31.826
Base-Backbone interact. energy: -0.524
local terms energy: -40.866623
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -7.300
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -6.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -77.918290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.918290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.918290 (E_RNA)
where:
Base-Base interactions energy: -33.752
where: short stacking energy: -30.813
Base-Backbone interact. energy: 0.047
local terms energy: -44.213086
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -0.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -229.474827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.474827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.474827 (E_RNA)
where:
Base-Base interactions energy: -153.627
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.047
local terms energy: -75.801496
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -223.793896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.793896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.793896 (E_RNA)
where:
Base-Base interactions energy: -146.633
where: short stacking energy: -74.978
Base-Backbone interact. energy: -1.463
local terms energy: -75.698201
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -164.431960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.431960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.431960 (E_RNA)
where:
Base-Base interactions energy: -97.208
where: short stacking energy: -51.985
Base-Backbone interact. energy: -0.188
local terms energy: -67.035576
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -10.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -180.823485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.823485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.823485 (E_RNA)
where:
Base-Base interactions energy: -118.062
where: short stacking energy: -40.931
Base-Backbone interact. energy: -0.513
local terms energy: -62.248688
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -167.375716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.375716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.375716 (E_RNA)
where:
Base-Base interactions energy: -102.309
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.164
local terms energy: -64.902019
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -5.951
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: 6, replica: 6
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -142.987793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.987793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.987793 (E_RNA)
where:
Base-Base interactions energy: -87.016
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.085
local terms energy: -55.886194
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -8.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -107.778895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.778895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.778895 (E_RNA)
where:
Base-Base interactions energy: -60.099
where: short stacking energy: -37.681
Base-Backbone interact. energy: -0.212
local terms energy: -47.467746
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -7.115
flat angles P-C4'-P energy: -8.897
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: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -84.704146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.704146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.704146 (E_RNA)
where:
Base-Base interactions energy: -38.010
where: short stacking energy: -19.961
Base-Backbone interact. energy: -0.066
local terms energy: -46.628641
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: 1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -75.877571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.877571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.877571 (E_RNA)
where:
Base-Base interactions energy: -27.034
where: short stacking energy: -27.010
Base-Backbone interact. energy: -0.513
local terms energy: -48.330021
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -84.013849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.013849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.013849 (E_RNA)
where:
Base-Base interactions energy: -29.354
where: short stacking energy: -27.546
Base-Backbone interact. energy: -0.008
local terms energy: -54.652061
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -230.392721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.392721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392721 (E_RNA)
where:
Base-Base interactions energy: -156.517
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.045
local terms energy: -73.830619
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -181.061543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.061543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.061543 (E_RNA)
where:
Base-Base interactions energy: -108.651
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.002
local terms energy: -72.408660
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -217.321758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.321758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.321758 (E_RNA)
where:
Base-Base interactions energy: -143.299
where: short stacking energy: -70.037
Base-Backbone interact. energy: -1.070
local terms energy: -72.952829
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -202.871722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.871722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.871722 (E_RNA)
where:
Base-Base interactions energy: -135.668
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.177
local terms energy: -67.026480
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -6.866
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -163.370095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.370095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.370095 (E_RNA)
where:
Base-Base interactions energy: -96.891
where: short stacking energy: -55.137
Base-Backbone interact. energy: -0.178
local terms energy: -66.301607
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -7.806
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: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -140.081191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.081191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.081191 (E_RNA)
where:
Base-Base interactions energy: -79.832
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.138
local terms energy: -60.110940
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -10.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -101.085113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.085113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.085113 (E_RNA)
where:
Base-Base interactions energy: -53.600
where: short stacking energy: -31.219
Base-Backbone interact. energy: -0.097
local terms energy: -47.388347
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -83.733419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.733419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.733419 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -28.635
Base-Backbone interact. energy: -0.057
local terms energy: -47.222729
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.721
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: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -98.499270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.499270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.499270 (E_RNA)
where:
Base-Base interactions energy: -50.768
where: short stacking energy: -25.462
Base-Backbone interact. energy: 0.154
local terms energy: -47.885536
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -1.322
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: 13
Temperature: 1.350000
Total energy: -79.331408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.331408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.331408 (E_RNA)
where:
Base-Base interactions energy: -22.528
where: short stacking energy: -18.288
Base-Backbone interact. energy: -0.407
local terms energy: -56.396509
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -7.954
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -171.173633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.173633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.173633 (E_RNA)
where:
Base-Base interactions energy: -94.729
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.002
local terms energy: -76.443135
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -8.318
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: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -227.172019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.172019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.172019 (E_RNA)
where:
Base-Base interactions energy: -151.936
where: short stacking energy: -69.815
Base-Backbone interact. energy: -0.289
local terms energy: -74.946717
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -220.671049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.671049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.671049 (E_RNA)
where:
Base-Base interactions energy: -139.697
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.005
local terms energy: -80.968810
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -204.657063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.657063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.657063 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.540
local terms energy: -63.907896
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -150.953395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.953395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.953395 (E_RNA)
where:
Base-Base interactions energy: -90.862
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.293
local terms energy: -59.797426
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -13.114
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: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -160.804462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.804462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.804462 (E_RNA)
where:
Base-Base interactions energy: -97.124
where: short stacking energy: -47.774
Base-Backbone interact. energy: -0.071
local terms energy: -63.608626
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -99.165938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.165938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.165938 (E_RNA)
where:
Base-Base interactions energy: -52.116
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.610
local terms energy: -46.440002
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -4.878
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: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -94.327470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.327470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.327470 (E_RNA)
where:
Base-Base interactions energy: -47.707
where: short stacking energy: -35.218
Base-Backbone interact. energy: -0.104
local terms energy: -46.515784
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -96.210430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.210430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.210430 (E_RNA)
where:
Base-Base interactions energy: -42.154
where: short stacking energy: -42.154
Base-Backbone interact. energy: -0.099
local terms energy: -53.957344
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -7.260
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -89.781922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.781922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.781922 (E_RNA)
where:
Base-Base interactions energy: -51.473
where: short stacking energy: -13.095
Base-Backbone interact. energy: 0.655
local terms energy: -38.964517
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -176.877151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.877151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.877151 (E_RNA)
where:
Base-Base interactions energy: -104.765
where: short stacking energy: -62.857
Base-Backbone interact. energy: -1.056
local terms energy: -71.055679
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -223.721168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.721168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.721168 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.080
local terms energy: -78.038354
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -21.047
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: 15
Temperature: 1.000000
Total energy: -219.774737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.774737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.774737 (E_RNA)
where:
Base-Base interactions energy: -150.896
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.589
local terms energy: -68.289508
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -193.467909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.467909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.467909 (E_RNA)
where:
Base-Base interactions energy: -129.499
where: short stacking energy: -60.605
Base-Backbone interact. energy: 1.798
local terms energy: -65.767602
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -161.013033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.013033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.013033 (E_RNA)
where:
Base-Base interactions energy: -94.670
where: short stacking energy: -50.933
Base-Backbone interact. energy: -0.125
local terms energy: -66.217787
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -169.143872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.143872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.143872 (E_RNA)
where:
Base-Base interactions energy: -98.295
where: short stacking energy: -55.907
Base-Backbone interact. energy: -0.157
local terms energy: -70.691965
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.476
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: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -109.123247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.123247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.123247 (E_RNA)
where:
Base-Base interactions energy: -47.919
where: short stacking energy: -43.753
Base-Backbone interact. energy: 0.034
local terms energy: -61.238775
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -7.861
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: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -124.110406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.110406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.110406 (E_RNA)
where:
Base-Base interactions energy: -72.463
where: short stacking energy: -28.136
Base-Backbone interact. energy: -1.252
local terms energy: -50.395468
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -6.380
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -89.616498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.616498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.616498 (E_RNA)
where:
Base-Base interactions energy: -43.426
where: short stacking energy: -39.209
Base-Backbone interact. energy: 1.103
local terms energy: -47.292809
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -92.555522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.555522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.555522 (E_RNA)
where:
Base-Base interactions energy: -48.769
where: short stacking energy: -26.765
Base-Backbone interact. energy: -0.343
local terms energy: -43.442990
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -3.279
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: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -234.523361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.523361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.523361 (E_RNA)
where:
Base-Base interactions energy: -152.331
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.895
local terms energy: -81.297362
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -182.341540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.341540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.341540 (E_RNA)
where:
Base-Base interactions energy: -105.457
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.251
local terms energy: -76.633195
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -18.173
flat angles P-C4'-P energy: -11.190
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -225.093199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.093199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.093199 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.667
local terms energy: -72.539752
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -153.850909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.850909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.850909 (E_RNA)
where:
Base-Base interactions energy: -91.953
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.301
local terms energy: -61.596107
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -12.652
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: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -186.259349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.259349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.259349 (E_RNA)
where:
Base-Base interactions energy: -116.188
where: short stacking energy: -63.799
Base-Backbone interact. energy: -0.009
local terms energy: -70.062395
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -160.493811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.493811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.493811 (E_RNA)
where:
Base-Base interactions energy: -97.088
where: short stacking energy: -45.982
Base-Backbone interact. energy: 0.575
local terms energy: -63.980393
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -145.362182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.362182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.362182 (E_RNA)
where:
Base-Base interactions energy: -90.486
where: short stacking energy: -43.733
Base-Backbone interact. energy: -0.413
local terms energy: -54.463299
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -89.127462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.127462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.127462 (E_RNA)
where:
Base-Base interactions energy: -35.879
where: short stacking energy: -33.487
Base-Backbone interact. energy: -0.025
local terms energy: -53.223921
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -90.870215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.870215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.870215 (E_RNA)
where:
Base-Base interactions energy: -32.017
where: short stacking energy: -28.952
Base-Backbone interact. energy: -0.280
local terms energy: -58.572994
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -82.344075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.344075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.344075 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -25.469
Base-Backbone interact. energy: -0.343
local terms energy: -51.310518
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -237.356558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.356558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.356558 (E_RNA)
where:
Base-Base interactions energy: -154.604
where: short stacking energy: -75.072
Base-Backbone interact. energy: -0.495
local terms energy: -82.257544
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -22.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -224.481214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.481214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.481214 (E_RNA)
where:
Base-Base interactions energy: -148.207
where: short stacking energy: -64.473
Base-Backbone interact. energy: -0.274
local terms energy: -76.000430
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -11.972
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: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -160.792830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.792830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.792830 (E_RNA)
where:
Base-Base interactions energy: -87.548
where: short stacking energy: -58.349
Base-Backbone interact. energy: -0.037
local terms energy: -73.207828
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -215.940656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.940656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.940656 (E_RNA)
where:
Base-Base interactions energy: -150.207
where: short stacking energy: -66.082
Base-Backbone interact. energy: -0.676
local terms energy: -65.058098
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -22.001
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: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -151.428166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.428166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.428166 (E_RNA)
where:
Base-Base interactions energy: -93.571
where: short stacking energy: -52.437
Base-Backbone interact. energy: -0.195
local terms energy: -57.663018
where:
bonds (distance) C4'-P energy: -5.168
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -13.216
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: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -157.130198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.130198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.130198 (E_RNA)
where:
Base-Base interactions energy: -98.277
where: short stacking energy: -51.658
Base-Backbone interact. energy: -0.078
local terms energy: -58.775480
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -5.461
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: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -114.164849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.164849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.164849 (E_RNA)
where:
Base-Base interactions energy: -56.322
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.025
local terms energy: -57.817646
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -11.214
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: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -88.235000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.235000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.235000 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -37.879
Base-Backbone interact. energy: -0.360
local terms energy: -49.839378
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -6.334
flat angles P-C4'-P energy: -8.954
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -88.999716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.999716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.999716 (E_RNA)
where:
Base-Base interactions energy: -39.972
where: short stacking energy: -36.130
Base-Backbone interact. energy: -0.149
local terms energy: -48.877886
where:
bonds (distance) C4'-P energy: -7.293
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -74.522686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.522686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.522686 (E_RNA)
where:
Base-Base interactions energy: -26.974
where: short stacking energy: -24.301
Base-Backbone interact. energy: -0.311
local terms energy: -47.237603
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -7.723
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: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -232.420967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.420967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.420967 (E_RNA)
where:
Base-Base interactions energy: -150.802
where: short stacking energy: -70.732
Base-Backbone interact. energy: -0.691
local terms energy: -80.928364
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -224.327116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.327116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.327116 (E_RNA)
where:
Base-Base interactions energy: -147.436
where: short stacking energy: -74.322
Base-Backbone interact. energy: -1.432
local terms energy: -75.459391
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -11.633
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: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -220.064270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.064270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.064270 (E_RNA)
where:
Base-Base interactions energy: -139.234
where: short stacking energy: -62.581
Base-Backbone interact. energy: -0.661
local terms energy: -80.169632
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -157.447683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.447683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.447683 (E_RNA)
where:
Base-Base interactions energy: -96.007
where: short stacking energy: -55.628
Base-Backbone interact. energy: -0.132
local terms energy: -61.308951
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -10.283
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: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -151.665264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.665264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.665264 (E_RNA)
where:
Base-Base interactions energy: -92.766
where: short stacking energy: -54.809
Base-Backbone interact. energy: -0.233
local terms energy: -58.665434
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -9.301
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -137.901485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.901485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.901485 (E_RNA)
where:
Base-Base interactions energy: -91.138
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.258
local terms energy: -46.505262
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -3.588
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: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -130.657264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.657264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.657264 (E_RNA)
where:
Base-Base interactions energy: -78.895
where: short stacking energy: -41.206
Base-Backbone interact. energy: -0.039
local terms energy: -51.723987
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -3.375
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -90.001843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.001843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.001843 (E_RNA)
where:
Base-Base interactions energy: -38.344
where: short stacking energy: -38.344
Base-Backbone interact. energy: -0.046
local terms energy: -51.611795
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -93.531838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.531838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.531838 (E_RNA)
where:
Base-Base interactions energy: -33.871
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.039
local terms energy: -59.622541
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -7.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -74.663083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.663083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.663083 (E_RNA)
where:
Base-Base interactions energy: -27.834
where: short stacking energy: -18.957
Base-Backbone interact. energy: -0.359
local terms energy: -46.469802
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: 4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -233.711493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.711493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.711493 (E_RNA)
where:
Base-Base interactions energy: -154.349
where: short stacking energy: -73.971
Base-Backbone interact. energy: -0.019
local terms energy: -79.343416
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -220.425868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425868 (E_RNA)
where:
Base-Base interactions energy: -145.125
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.955
local terms energy: -74.346254
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -221.533237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.533237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.533237 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.250
local terms energy: -73.283492
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -165.325400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.325400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.325400 (E_RNA)
where:
Base-Base interactions energy: -104.465
where: short stacking energy: -49.699
Base-Backbone interact. energy: -0.043
local terms energy: -60.817598
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -151.120218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.120218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.120218 (E_RNA)
where:
Base-Base interactions energy: -85.178
where: short stacking energy: -55.241
Base-Backbone interact. energy: -1.087
local terms energy: -64.854744
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -13.101
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: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -138.111645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.111645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.111645 (E_RNA)
where:
Base-Base interactions energy: -79.582
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.882
local terms energy: -57.646908
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -6.366
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: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -97.427742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.427742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.427742 (E_RNA)
where:
Base-Base interactions energy: -39.641
where: short stacking energy: -39.641
Base-Backbone interact. energy: -0.109
local terms energy: -57.677497
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -88.310473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.310473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.310473 (E_RNA)
where:
Base-Base interactions energy: -40.071
where: short stacking energy: -35.487
Base-Backbone interact. energy: -0.036
local terms energy: -48.203302
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -1.180
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -91.462195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.462195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.462195 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -13.364
Base-Backbone interact. energy: -0.216
local terms energy: -47.178395
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: 5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -76.889870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.889870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.889870 (E_RNA)
where:
Base-Base interactions energy: -29.206
where: short stacking energy: -26.633
Base-Backbone interact. energy: -0.089
local terms energy: -47.594599
where:
bonds (distance) C4'-P energy: -7.230
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -2.896
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: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -226.460145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.460145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.460145 (E_RNA)
where:
Base-Base interactions energy: -155.384
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.999
local terms energy: -70.077104
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -225.332737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.332737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.332737 (E_RNA)
where:
Base-Base interactions energy: -147.242
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.286
local terms energy: -77.805333
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -218.218008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.218008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.218008 (E_RNA)
where:
Base-Base interactions energy: -142.951
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.536
local terms energy: -74.731009
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -177.630281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.630281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.630281 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.001
local terms energy: -65.403789
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -6.648
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: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -140.370469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.370469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.370469 (E_RNA)
where:
Base-Base interactions energy: -81.886
where: short stacking energy: -44.962
Base-Backbone interact. energy: -0.138
local terms energy: -58.346464
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -154.192402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.192402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.192402 (E_RNA)
where:
Base-Base interactions energy: -91.712
where: short stacking energy: -56.800
Base-Backbone interact. energy: -0.012
local terms energy: -62.468895
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -84.773626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.773626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.773626 (E_RNA)
where:
Base-Base interactions energy: -29.544
where: short stacking energy: -27.059
Base-Backbone interact. energy: 1.071
local terms energy: -56.300433
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -92.862114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.862114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.862114 (E_RNA)
where:
Base-Base interactions energy: -30.995
where: short stacking energy: -30.995
Base-Backbone interact. energy: -0.091
local terms energy: -61.776703
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -9.162
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: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -96.397570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.397570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.397570 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -36.404
Base-Backbone interact. energy: 0.177
local terms energy: -55.748980
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -9.637
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: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -76.767392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.767392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.767392 (E_RNA)
where:
Base-Base interactions energy: -25.285
where: short stacking energy: -25.176
Base-Backbone interact. energy: -0.095
local terms energy: -51.388127
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -2.428
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: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -225.522743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.522743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.522743 (E_RNA)
where:
Base-Base interactions energy: -147.262
where: short stacking energy: -65.944
Base-Backbone interact. energy: -0.146
local terms energy: -78.114327
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -17.928
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: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -227.747633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747633 (E_RNA)
where:
Base-Base interactions energy: -152.772
where: short stacking energy: -72.249
Base-Backbone interact. energy: -0.001
local terms energy: -74.975026
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -20.186
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: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -217.187408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.187408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.187408 (E_RNA)
where:
Base-Base interactions energy: -135.101
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.020
local terms energy: -82.065861
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -171.292300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.292300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.292300 (E_RNA)
where:
Base-Base interactions energy: -100.637
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.090
local terms energy: -70.565829
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -146.271220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.271220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.271220 (E_RNA)
where:
Base-Base interactions energy: -83.363
where: short stacking energy: -47.337
Base-Backbone interact. energy: -0.070
local terms energy: -62.837911
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -105.665595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.665595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.665595 (E_RNA)
where:
Base-Base interactions energy: -41.824
where: short stacking energy: -41.824
Base-Backbone interact. energy: -0.002
local terms energy: -63.839307
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -152.292702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.292702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.292702 (E_RNA)
where:
Base-Base interactions energy: -85.283
where: short stacking energy: -48.242
Base-Backbone interact. energy: -1.004
local terms energy: -66.005757
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -13.577
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: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -95.727358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.727358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.727358 (E_RNA)
where:
Base-Base interactions energy: -46.951
where: short stacking energy: -33.869
Base-Backbone interact. energy: 1.112
local terms energy: -49.888712
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -87.878531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.878531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.878531 (E_RNA)
where:
Base-Base interactions energy: -39.668
where: short stacking energy: -22.505
Base-Backbone interact. energy: -0.440
local terms energy: -47.770701
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -76.183851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.183851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.183851 (E_RNA)
where:
Base-Base interactions energy: -38.789
where: short stacking energy: -15.817
Base-Backbone interact. energy: 0.172
local terms energy: -37.566917
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -7.776
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: 6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -229.716007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.716007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.716007 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -70.803
Base-Backbone interact. energy: -0.044
local terms energy: -76.227642
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -228.618005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.618005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.618005 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -74.090
Base-Backbone interact. energy: -1.822
local terms energy: -74.909803
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -221.627977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.627977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.627977 (E_RNA)
where:
Base-Base interactions energy: -146.386
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.441
local terms energy: -74.800464
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -157.802119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.802119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.802119 (E_RNA)
where:
Base-Base interactions energy: -95.103
where: short stacking energy: -49.416
Base-Backbone interact. energy: -0.145
local terms energy: -62.554723
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -10.727
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: 5, replica: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -185.341608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.341608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.341608 (E_RNA)
where:
Base-Base interactions energy: -119.858
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.299
local terms energy: -65.185423
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -19.892
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: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -111.322307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.322307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.322307 (E_RNA)
where:
Base-Base interactions energy: -49.784
where: short stacking energy: -49.784
Base-Backbone interact. energy: 1.105
local terms energy: -62.643439
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -97.856036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.856036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.856036 (E_RNA)
where:
Base-Base interactions energy: -46.821
where: short stacking energy: -39.140
Base-Backbone interact. energy: -0.120
local terms energy: -50.915694
where:
bonds (distance) C4'-P energy: -6.187
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -96.010538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.010538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.010538 (E_RNA)
where:
Base-Base interactions energy: -44.110
where: short stacking energy: -19.471
Base-Backbone interact. energy: -0.077
local terms energy: -51.823506
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -85.816145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.816145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.816145 (E_RNA)
where:
Base-Base interactions energy: -49.367
where: short stacking energy: -18.423
Base-Backbone interact. energy: -0.023
local terms energy: -36.426115
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -9.153
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: 1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -71.824144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.824144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.824144 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -15.792
Base-Backbone interact. energy: -0.036
local terms energy: -40.170543
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: 4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -233.753657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.753657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.753657 (E_RNA)
where:
Base-Base interactions energy: -153.515
where: short stacking energy: -74.813
Base-Backbone interact. energy: -0.369
local terms energy: -79.869522
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -20.240
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: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -224.856556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.856556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.856556 (E_RNA)
where:
Base-Base interactions energy: -148.249
where: short stacking energy: -72.476
Base-Backbone interact. energy: -1.024
local terms energy: -75.583956
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -19.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -222.935360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.935360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.935360 (E_RNA)
where:
Base-Base interactions energy: -145.540
where: short stacking energy: -69.482
Base-Backbone interact. energy: -1.349
local terms energy: -76.045594
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -19.809
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: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -184.526424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.526424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.526424 (E_RNA)
where:
Base-Base interactions energy: -117.988
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.371
local terms energy: -66.167382
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -14.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -156.947600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.947600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.947600 (E_RNA)
where:
Base-Base interactions energy: -89.853
where: short stacking energy: -49.892
Base-Backbone interact. energy: -0.131
local terms energy: -66.963905
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -12.392
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: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -136.386615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.386615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.386615 (E_RNA)
where:
Base-Base interactions energy: -80.444
where: short stacking energy: -47.872
Base-Backbone interact. energy: -0.172
local terms energy: -55.770903
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -91.071543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.071543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.071543 (E_RNA)
where:
Base-Base interactions energy: -37.315
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.115
local terms energy: -53.642056
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -100.452240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.452240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.452240 (E_RNA)
where:
Base-Base interactions energy: -52.503
where: short stacking energy: -38.058
Base-Backbone interact. energy: -0.209
local terms energy: -47.740202
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -113.163233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.163233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.163233 (E_RNA)
where:
Base-Base interactions energy: -65.417
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.075
local terms energy: -47.671032
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -8.157
flat angles P-C4'-P energy: -3.522
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: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -80.350726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350726 (E_RNA)
where:
Base-Base interactions energy: -29.247
where: short stacking energy: -25.694
Base-Backbone interact. energy: 1.281
local terms energy: -52.385378
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -226.260422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.260422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.260422 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -67.795
Base-Backbone interact. energy: -0.878
local terms energy: -77.762723
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -230.027178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.027178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.027178 (E_RNA)
where:
Base-Base interactions energy: -150.714
where: short stacking energy: -71.498
Base-Backbone interact. energy: -0.148
local terms energy: -79.165255
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -193.285548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.285548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.285548 (E_RNA)
where:
Base-Base interactions energy: -126.697
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.823
local terms energy: -65.765442
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -8.141
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -219.883977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.883977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.883977 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.126
local terms energy: -73.861720
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -21.364
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: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -162.506711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.506711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.506711 (E_RNA)
where:
Base-Base interactions energy: -100.446
where: short stacking energy: -49.304
Base-Backbone interact. energy: -0.074
local terms energy: -61.987144
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -157.898534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.898534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.898534 (E_RNA)
where:
Base-Base interactions energy: -93.472
where: short stacking energy: -42.160
Base-Backbone interact. energy: -0.141
local terms energy: -64.285194
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -121.750595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.750595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.750595 (E_RNA)
where:
Base-Base interactions energy: -71.610
where: short stacking energy: -30.719
Base-Backbone interact. energy: -1.528
local terms energy: -48.612162
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -7.612
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: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -85.343431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343431 (E_RNA)
where:
Base-Base interactions energy: -28.902
where: short stacking energy: -28.902
Base-Backbone interact. energy: -0.038
local terms energy: -56.403326
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -4.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -89.704847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.704847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.704847 (E_RNA)
where:
Base-Base interactions energy: -38.187
where: short stacking energy: -38.187
Base-Backbone interact. energy: -0.126
local terms energy: -51.392020
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -83.594251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594251 (E_RNA)
where:
Base-Base interactions energy: -36.889
where: short stacking energy: -26.421
Base-Backbone interact. energy: 0.559
local terms energy: -47.264132
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -224.661549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.661549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.661549 (E_RNA)
where:
Base-Base interactions energy: -147.014
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.006
local terms energy: -77.641309
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -227.710453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.710453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.710453 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -64.058
Base-Backbone interact. energy: -0.732
local terms energy: -75.621807
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -200.639329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.639329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639329 (E_RNA)
where:
Base-Base interactions energy: -132.093
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.788
local terms energy: -67.758045
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -4.959
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: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -224.339242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.339242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.339242 (E_RNA)
where:
Base-Base interactions energy: -147.746
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.001
local terms energy: -76.591807
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -169.721915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.721915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.721915 (E_RNA)
where:
Base-Base interactions energy: -107.571
where: short stacking energy: -50.620
Base-Backbone interact. energy: -0.289
local terms energy: -61.862221
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -97.388734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.388734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.388734 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.083
local terms energy: -58.788193
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -5.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -134.238840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.238840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.238840 (E_RNA)
where:
Base-Base interactions energy: -78.852
where: short stacking energy: -42.586
Base-Backbone interact. energy: 0.327
local terms energy: -55.713494
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -10.664
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: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -78.572610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.572610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.572610 (E_RNA)
where:
Base-Base interactions energy: -35.226
where: short stacking energy: -31.256
Base-Backbone interact. energy: -1.078
local terms energy: -42.268281
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -0.080
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: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -85.697592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.697592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.697592 (E_RNA)
where:
Base-Base interactions energy: -23.270
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.341
local terms energy: -62.086367
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -85.513677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.513677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.513677 (E_RNA)
where:
Base-Base interactions energy: -39.079
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.284
local terms energy: -46.150916
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -7.147
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -230.934577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.934577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.934577 (E_RNA)
where:
Base-Base interactions energy: -149.391
where: short stacking energy: -72.864
Base-Backbone interact. energy: -1.523
local terms energy: -80.020782
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -23.229
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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -221.515178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.515178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.515178 (E_RNA)
where:
Base-Base interactions energy: -144.901
where: short stacking energy: -67.137
Base-Backbone interact. energy: -0.061
local terms energy: -76.553846
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -219.960707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.960707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.960707 (E_RNA)
where:
Base-Base interactions energy: -142.814
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.109
local terms energy: -77.037585
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -196.090845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.090845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.090845 (E_RNA)
where:
Base-Base interactions energy: -125.195
where: short stacking energy: -61.682
Base-Backbone interact. energy: -0.487
local terms energy: -70.408279
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -166.164995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.164995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.164995 (E_RNA)
where:
Base-Base interactions energy: -107.490
where: short stacking energy: -47.268
Base-Backbone interact. energy: -0.024
local terms energy: -58.650775
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -4.228
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -100.755293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.755293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.755293 (E_RNA)
where:
Base-Base interactions energy: -51.418
where: short stacking energy: -41.468
Base-Backbone interact. energy: -0.127
local terms energy: -49.210855
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -9.314
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: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -99.470332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.470332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.470332 (E_RNA)
where:
Base-Base interactions energy: -60.632
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.294
local terms energy: -38.544076
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -7.127
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -4.081
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: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -106.043964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.043964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.043964 (E_RNA)
where:
Base-Base interactions energy: -47.877
where: short stacking energy: -41.372
Base-Backbone interact. energy: -0.095
local terms energy: -58.072185
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -84.591136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.591136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.591136 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -32.789
Base-Backbone interact. energy: -1.298
local terms energy: -50.503752
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -2.585
flat angles P-C4'-P energy: -11.074
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -80.635576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.635576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.635576 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -16.217
Base-Backbone interact. energy: -0.091
local terms energy: -51.895004
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -5.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -236.397318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.397318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.397318 (E_RNA)
where:
Base-Base interactions energy: -151.935
where: short stacking energy: -76.342
Base-Backbone interact. energy: -1.975
local terms energy: -82.487540
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -222.845891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.845891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.845891 (E_RNA)
where:
Base-Base interactions energy: -146.950
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.582
local terms energy: -75.313345
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -228.814200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.814200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.814200 (E_RNA)
where:
Base-Base interactions energy: -145.036
where: short stacking energy: -66.121
Base-Backbone interact. energy: -1.207
local terms energy: -82.571289
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -186.985142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.985142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.985142 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -50.856
Base-Backbone interact. energy: -0.284
local terms energy: -67.041133
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -175.627972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.627972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.627972 (E_RNA)
where:
Base-Base interactions energy: -114.849
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.000
local terms energy: -60.778268
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.122
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -97.198564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.198564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.198564 (E_RNA)
where:
Base-Base interactions energy: -42.286
where: short stacking energy: -37.176
Base-Backbone interact. energy: -0.084
local terms energy: -54.827913
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -90.787235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.787235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.787235 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -25.335
Base-Backbone interact. energy: -0.233
local terms energy: -55.234239
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -100.176596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.176596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.176596 (E_RNA)
where:
Base-Base interactions energy: -55.407
where: short stacking energy: -28.785
Base-Backbone interact. energy: -0.224
local terms energy: -44.544965
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -6.678
flat angles P-C4'-P energy: -1.569
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -81.631504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.631504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.631504 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.352
local terms energy: -51.027721
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -77.508994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.508994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.508994 (E_RNA)
where:
Base-Base interactions energy: -30.093
where: short stacking energy: -28.166
Base-Backbone interact. energy: 1.500
local terms energy: -48.915675
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -233.397794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.397794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.397794 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -74.471
Base-Backbone interact. energy: -0.007
local terms energy: -83.009751
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -23.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -230.638844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.638844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.638844 (E_RNA)
where:
Base-Base interactions energy: -151.901
where: short stacking energy: -75.215
Base-Backbone interact. energy: -0.112
local terms energy: -78.625511
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -215.044020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.044020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.044020 (E_RNA)
where:
Base-Base interactions energy: -142.709
where: short stacking energy: -67.337
Base-Backbone interact. energy: -1.331
local terms energy: -71.003666
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -220.297983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.297983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.297983 (E_RNA)
where:
Base-Base interactions energy: -143.531
where: short stacking energy: -63.677
Base-Backbone interact. energy: -0.405
local terms energy: -76.361831
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -8.904
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: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -165.689022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.689022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.689022 (E_RNA)
where:
Base-Base interactions energy: -101.194
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.098
local terms energy: -64.397016
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -8.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -99.429092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.429092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.429092 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -34.391
Base-Backbone interact. energy: 0.449
local terms energy: -65.487318
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -83.357506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357506 (E_RNA)
where:
Base-Base interactions energy: -27.425
where: short stacking energy: -27.425
Base-Backbone interact. energy: 2.259
local terms energy: -58.191762
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -6.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -86.417294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.417294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.417294 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -23.086
Base-Backbone interact. energy: -0.526
local terms energy: -48.657368
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: 0.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -77.079895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.079895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.079895 (E_RNA)
where:
Base-Base interactions energy: -25.269
where: short stacking energy: -24.747
Base-Backbone interact. energy: -0.240
local terms energy: -51.571266
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -82.468486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.468486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.468486 (E_RNA)
where:
Base-Base interactions energy: -31.829
where: short stacking energy: -22.590
Base-Backbone interact. energy: -0.112
local terms energy: -50.526930
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -233.439854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.439854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.439854 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -70.264
Base-Backbone interact. energy: -1.060
local terms energy: -83.476461
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -224.044214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.044214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.044214 (E_RNA)
where:
Base-Base interactions energy: -146.934
where: short stacking energy: -70.570
Base-Backbone interact. energy: -1.742
local terms energy: -75.368390
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -226.830351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.830351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.830351 (E_RNA)
where:
Base-Base interactions energy: -153.124
where: short stacking energy: -75.200
Base-Backbone interact. energy: -0.962
local terms energy: -72.743822
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -21.114
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: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -222.253022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.253022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.253022 (E_RNA)
where:
Base-Base interactions energy: -143.787
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.008
local terms energy: -78.457406
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -18.564
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: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -154.020289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.020289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.020289 (E_RNA)
where:
Base-Base interactions energy: -93.949
where: short stacking energy: -51.147
Base-Backbone interact. energy: 0.254
local terms energy: -60.325261
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -103.531527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.531527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.531527 (E_RNA)
where:
Base-Base interactions energy: -48.383
where: short stacking energy: -30.932
Base-Backbone interact. energy: -0.180
local terms energy: -54.969004
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -85.303299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.303299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.303299 (E_RNA)
where:
Base-Base interactions energy: -31.820
where: short stacking energy: -21.275
Base-Backbone interact. energy: -0.018
local terms energy: -53.465197
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -100.940994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.940994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.940994 (E_RNA)
where:
Base-Base interactions energy: -35.728
where: short stacking energy: -35.728
Base-Backbone interact. energy: -0.210
local terms energy: -65.003641
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -9.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -77.289396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.289396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.289396 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -27.090
Base-Backbone interact. energy: 0.217
local terms energy: -45.760988
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -115.033362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.033362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.033362 (E_RNA)
where:
Base-Base interactions energy: -64.615
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.124
local terms energy: -50.294770
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -229.596078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.596078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.596078 (E_RNA)
where:
Base-Base interactions energy: -155.540
where: short stacking energy: -72.461
Base-Backbone interact. energy: -0.270
local terms energy: -73.786663
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -23.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -232.491932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.491932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.491932 (E_RNA)
where:
Base-Base interactions energy: -153.170
where: short stacking energy: -77.020
Base-Backbone interact. energy: -0.708
local terms energy: -78.613714
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -22.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -219.896557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.896557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.896557 (E_RNA)
where:
Base-Base interactions energy: -135.517
where: short stacking energy: -60.592
Base-Backbone interact. energy: -0.000
local terms energy: -84.379536
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -219.687999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.687999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.687999 (E_RNA)
where:
Base-Base interactions energy: -147.951
where: short stacking energy: -69.788
Base-Backbone interact. energy: -0.000
local terms energy: -71.736062
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -6.370
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: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -97.626654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.626654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.626654 (E_RNA)
where:
Base-Base interactions energy: -42.345
where: short stacking energy: -39.052
Base-Backbone interact. energy: -0.241
local terms energy: -55.041168
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -148.978552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.978552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.978552 (E_RNA)
where:
Base-Base interactions energy: -78.506
where: short stacking energy: -42.920
Base-Backbone interact. energy: -0.208
local terms energy: -70.265028
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -99.560063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.560063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.560063 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -38.944
Base-Backbone interact. energy: -0.059
local terms energy: -55.137962
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -108.624117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.624117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.624117 (E_RNA)
where:
Base-Base interactions energy: -57.585
where: short stacking energy: -32.713
Base-Backbone interact. energy: -0.434
local terms energy: -50.605072
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -119.508095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.508095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.508095 (E_RNA)
where:
Base-Base interactions energy: -62.969
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.224
local terms energy: -56.315086
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -92.282016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.282016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.282016 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.231
local terms energy: -57.291498
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -5.909
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: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -231.019470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.019470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.019470 (E_RNA)
where:
Base-Base interactions energy: -148.299
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.592
local terms energy: -82.128376
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -20.536
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -229.050196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.050196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.050196 (E_RNA)
where:
Base-Base interactions energy: -148.342
where: short stacking energy: -73.417
Base-Backbone interact. energy: -1.914
local terms energy: -78.794050
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -225.621911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.621911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.621911 (E_RNA)
where:
Base-Base interactions energy: -150.085
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.786
local terms energy: -74.751805
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -19.867
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: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -227.769408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.769408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.769408 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -68.657
Base-Backbone interact. energy: -0.241
local terms energy: -72.848730
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -138.943763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.943763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.943763 (E_RNA)
where:
Base-Base interactions energy: -79.995
where: short stacking energy: -42.097
Base-Backbone interact. energy: 0.565
local terms energy: -59.514675
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -89.823367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.823367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.823367 (E_RNA)
where:
Base-Base interactions energy: -42.611
where: short stacking energy: -35.720
Base-Backbone interact. energy: -0.214
local terms energy: -46.998392
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -133.757454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.757454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.757454 (E_RNA)
where:
Base-Base interactions energy: -73.765
where: short stacking energy: -33.189
Base-Backbone interact. energy: -0.713
local terms energy: -59.280268
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -82.749128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.749128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.749128 (E_RNA)
where:
Base-Base interactions energy: -27.292
where: short stacking energy: -27.126
Base-Backbone interact. energy: -1.211
local terms energy: -54.245572
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -5.384
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: 3
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -93.939362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.939362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.939362 (E_RNA)
where:
Base-Base interactions energy: -44.697
where: short stacking energy: -42.147
Base-Backbone interact. energy: 0.397
local terms energy: -49.639087
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -93.301903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301903 (E_RNA)
where:
Base-Base interactions energy: -36.192
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.167
local terms energy: -56.942445
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -228.224783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.224783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.224783 (E_RNA)
where:
Base-Base interactions energy: -151.799
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.768
local terms energy: -75.658430
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -11.167
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: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -223.125310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.125310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.125310 (E_RNA)
where:
Base-Base interactions energy: -149.433
where: short stacking energy: -71.215
Base-Backbone interact. energy: -0.990
local terms energy: -72.702389
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -228.158002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.158002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.158002 (E_RNA)
where:
Base-Base interactions energy: -156.057
where: short stacking energy: -78.136
Base-Backbone interact. energy: -0.128
local terms energy: -71.973124
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -21.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -213.568483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.568483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.568483 (E_RNA)
where:
Base-Base interactions energy: -141.603
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.372
local terms energy: -71.593508
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -184.327422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.327422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.327422 (E_RNA)
where:
Base-Base interactions energy: -112.953
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.041
local terms energy: -71.333664
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -119.071629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.071629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.071629 (E_RNA)
where:
Base-Base interactions energy: -56.096
where: short stacking energy: -47.326
Base-Backbone interact. energy: 0.046
local terms energy: -63.021342
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -101.881816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.881816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.881816 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -36.940
Base-Backbone interact. energy: -0.011
local terms energy: -64.930655
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -129.778417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.778417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.778417 (E_RNA)
where:
Base-Base interactions energy: -72.956
where: short stacking energy: -41.774
Base-Backbone interact. energy: -0.096
local terms energy: -56.726289
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -85.617947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.617947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.617947 (E_RNA)
where:
Base-Base interactions energy: -35.307
where: short stacking energy: -19.210
Base-Backbone interact. energy: -0.214
local terms energy: -50.097600
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: 0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -81.750634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.750634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.750634 (E_RNA)
where:
Base-Base interactions energy: -33.598
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.234
local terms energy: -47.918352
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: 0.367
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: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -231.051078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.051078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.051078 (E_RNA)
where:
Base-Base interactions energy: -158.381
where: short stacking energy: -78.422
Base-Backbone interact. energy: -0.927
local terms energy: -71.743819
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -19.292
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: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -235.691985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.691985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.691985 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -72.533
Base-Backbone interact. energy: -0.733
local terms energy: -84.936494
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -14.319
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: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -224.024172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.024172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.024172 (E_RNA)
where:
Base-Base interactions energy: -153.786
where: short stacking energy: -70.500
Base-Backbone interact. energy: -0.214
local terms energy: -70.023916
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -23.317
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: 33
Temperature: 1.050000
Total energy: -202.912588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.912588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.912588 (E_RNA)
where:
Base-Base interactions energy: -132.188
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.045
local terms energy: -70.679725
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -12.253
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: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -192.243229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.243229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.243229 (E_RNA)
where:
Base-Base interactions energy: -124.060
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.013
local terms energy: -68.170231
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -95.821301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.821301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.821301 (E_RNA)
where:
Base-Base interactions energy: -38.148
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.104
local terms energy: -57.569102
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -10.920
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: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -88.817175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.817175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.817175 (E_RNA)
where:
Base-Base interactions energy: -33.605
where: short stacking energy: -33.605
Base-Backbone interact. energy: -0.066
local terms energy: -55.145655
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -10.436
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: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -103.539837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.539837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.539837 (E_RNA)
where:
Base-Base interactions energy: -55.149
where: short stacking energy: -22.628
Base-Backbone interact. energy: -0.576
local terms energy: -47.815305
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -79.619895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.619895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.619895 (E_RNA)
where:
Base-Base interactions energy: -41.692
where: short stacking energy: -25.633
Base-Backbone interact. energy: 2.178
local terms energy: -40.105542
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -9.795
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -4.967
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: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -75.395792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.395792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.395792 (E_RNA)
where:
Base-Base interactions energy: -24.971
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.113
local terms energy: -50.311653
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -241.256565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.256565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.256565 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -75.927
Base-Backbone interact. energy: -0.090
local terms energy: -84.025094
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -235.882526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.882526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.882526 (E_RNA)
where:
Base-Base interactions energy: -155.362
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.754
local terms energy: -79.766706
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -223.893496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.893496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.893496 (E_RNA)
where:
Base-Base interactions energy: -147.877
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.011
local terms energy: -76.005028
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -217.939043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.939043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.939043 (E_RNA)
where:
Base-Base interactions energy: -146.068
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.396
local terms energy: -71.475811
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -184.571992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.571992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.571992 (E_RNA)
where:
Base-Base interactions energy: -120.966
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.035
local terms energy: -63.570722
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -100.773240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.773240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.773240 (E_RNA)
where:
Base-Base interactions energy: -51.188
where: short stacking energy: -40.492
Base-Backbone interact. energy: -0.008
local terms energy: -49.576975
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -5.245
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: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -106.070138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.070138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.070138 (E_RNA)
where:
Base-Base interactions energy: -55.651
where: short stacking energy: -30.303
Base-Backbone interact. energy: -0.347
local terms energy: -50.071974
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -8.327
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -95.758816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.758816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.758816 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -33.745
Base-Backbone interact. energy: -0.164
local terms energy: -61.849729
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -8.901
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: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -84.739709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.739709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.739709 (E_RNA)
where:
Base-Base interactions energy: -35.035
where: short stacking energy: -19.050
Base-Backbone interact. energy: -0.103
local terms energy: -49.601777
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -97.543183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543183 (E_RNA)
where:
Base-Base interactions energy: -44.001
where: short stacking energy: -39.032
Base-Backbone interact. energy: -0.035
local terms energy: -53.506890
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -240.762604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.762604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.762604 (E_RNA)
where:
Base-Base interactions energy: -156.084
where: short stacking energy: -77.301
Base-Backbone interact. energy: -0.578
local terms energy: -84.100024
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -223.726394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.726394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.726394 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.062
local terms energy: -74.899036
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -220.406826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.406826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.406826 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -67.311
Base-Backbone interact. energy: -0.006
local terms energy: -76.825789
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -213.167134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.167134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.167134 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -70.540
Base-Backbone interact. energy: -0.003
local terms energy: -68.346626
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -172.781565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.781565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.781565 (E_RNA)
where:
Base-Base interactions energy: -107.852
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.200
local terms energy: -64.728981
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -113.126124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.126124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.126124 (E_RNA)
where:
Base-Base interactions energy: -54.891
where: short stacking energy: -33.063
Base-Backbone interact. energy: -0.039
local terms energy: -58.196724
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -105.008337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.008337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.008337 (E_RNA)
where:
Base-Base interactions energy: -46.082
where: short stacking energy: -45.718
Base-Backbone interact. energy: -0.083
local terms energy: -58.843501
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -96.492545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.492545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.492545 (E_RNA)
where:
Base-Base interactions energy: -45.914
where: short stacking energy: -45.083
Base-Backbone interact. energy: -0.073
local terms energy: -50.506140
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -7.313
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -85.422117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.422117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.422117 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -30.718
Base-Backbone interact. energy: 0.153
local terms energy: -50.169712
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -84.504720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.504720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.504720 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -26.356
Base-Backbone interact. energy: -0.064
local terms energy: -49.060429
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -5.493
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -4.988
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: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -229.112759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.112759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.112759 (E_RNA)
where:
Base-Base interactions energy: -153.222
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.157
local terms energy: -75.733432
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -227.727830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.727830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.727830 (E_RNA)
where:
Base-Base interactions energy: -151.939
where: short stacking energy: -64.074
Base-Backbone interact. energy: -0.165
local terms energy: -75.623200
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.057
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: 36
Temperature: 1.000000
Total energy: -232.224411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.224411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.224411 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.757
local terms energy: -79.299831
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -212.318205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318205 (E_RNA)
where:
Base-Base interactions energy: -137.599
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.533
local terms energy: -74.185914
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -187.725034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.725034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.725034 (E_RNA)
where:
Base-Base interactions energy: -118.266
where: short stacking energy: -59.585
Base-Backbone interact. energy: -0.199
local terms energy: -69.259918
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -3.980
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: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -112.820944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.820944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.820944 (E_RNA)
where:
Base-Base interactions energy: -56.030
where: short stacking energy: -40.923
Base-Backbone interact. energy: -0.363
local terms energy: -56.427736
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -5.280
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -87.766466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766466 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -27.268
Base-Backbone interact. energy: -0.121
local terms energy: -58.413794
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -90.825165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.825165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.825165 (E_RNA)
where:
Base-Base interactions energy: -35.959
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.105
local terms energy: -54.761121
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -95.179232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.179232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.179232 (E_RNA)
where:
Base-Base interactions energy: -40.436
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.218
local terms energy: -54.525193
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -89.921286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.921286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.921286 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -30.144
Base-Backbone interact. energy: -0.214
local terms energy: -46.705719
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -233.224786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.224786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.224786 (E_RNA)
where:
Base-Base interactions energy: -155.125
where: short stacking energy: -76.457
Base-Backbone interact. energy: -1.404
local terms energy: -76.695993
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -231.953201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.953201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.953201 (E_RNA)
where:
Base-Base interactions energy: -156.572
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.232
local terms energy: -75.149287
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -230.900563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.900563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.900563 (E_RNA)
where:
Base-Base interactions energy: -156.141
where: short stacking energy: -76.452
Base-Backbone interact. energy: -0.004
local terms energy: -74.755464
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -18.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -185.727137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.727137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.727137 (E_RNA)
where:
Base-Base interactions energy: -117.903
where: short stacking energy: -53.143
Base-Backbone interact. energy: -0.998
local terms energy: -66.826064
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -215.841097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.841097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.841097 (E_RNA)
where:
Base-Base interactions energy: -139.813
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.378
local terms energy: -75.649536
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -97.938560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.938560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.938560 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.067
local terms energy: -55.857195
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -6.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -84.536988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.536988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.536988 (E_RNA)
where:
Base-Base interactions energy: -35.295
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.569
local terms energy: -48.672989
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -0.569
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: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -86.814883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.814883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.814883 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -25.875
Base-Backbone interact. energy: -0.103
local terms energy: -54.534366
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -3.549
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: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -78.233092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.233092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.233092 (E_RNA)
where:
Base-Base interactions energy: -36.227
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.111
local terms energy: -41.895265
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -0.497
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: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -66.040590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.040590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.040590 (E_RNA)
where:
Base-Base interactions energy: -22.972
where: short stacking energy: -15.131
Base-Backbone interact. energy: -0.010
local terms energy: -43.058974
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: 3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -233.130531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.130531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.130531 (E_RNA)
where:
Base-Base interactions energy: -158.585
where: short stacking energy: -68.776
Base-Backbone interact. energy: -0.071
local terms energy: -74.475105
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -229.208756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.208756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.208756 (E_RNA)
where:
Base-Base interactions energy: -148.321
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.274
local terms energy: -80.614232
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -222.910514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.910514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.910514 (E_RNA)
where:
Base-Base interactions energy: -146.761
where: short stacking energy: -74.190
Base-Backbone interact. energy: 0.156
local terms energy: -76.304918
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -182.823311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.823311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.823311 (E_RNA)
where:
Base-Base interactions energy: -125.131
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.018
local terms energy: -57.674561
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -214.875562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.875562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.875562 (E_RNA)
where:
Base-Base interactions energy: -143.278
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.019
local terms energy: -71.578399
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -22.012
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: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -113.985687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.985687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.985687 (E_RNA)
where:
Base-Base interactions energy: -63.468
where: short stacking energy: -37.726
Base-Backbone interact. energy: -0.873
local terms energy: -49.644719
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -1.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -89.699529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.699529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.699529 (E_RNA)
where:
Base-Base interactions energy: -39.909
where: short stacking energy: -33.603
Base-Backbone interact. energy: -0.004
local terms energy: -49.786169
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -81.095272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.095272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.095272 (E_RNA)
where:
Base-Base interactions energy: -37.477
where: short stacking energy: -16.396
Base-Backbone interact. energy: -0.247
local terms energy: -43.370967
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -92.089398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.089398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.089398 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -35.832
Base-Backbone interact. energy: -0.155
local terms energy: -56.103125
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -75.484795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.484795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.484795 (E_RNA)
where:
Base-Base interactions energy: -25.501
where: short stacking energy: -24.471
Base-Backbone interact. energy: -0.383
local terms energy: -49.601412
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -237.399071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.399071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.399071 (E_RNA)
where:
Base-Base interactions energy: -154.855
where: short stacking energy: -68.521
Base-Backbone interact. energy: -0.096
local terms energy: -82.448162
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -18.809
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -230.451368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.451368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.451368 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.001
local terms energy: -80.580321
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -216.304386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.304386 (E_RNA)
where:
Base-Base interactions energy: -137.231
where: short stacking energy: -68.011
Base-Backbone interact. energy: -1.335
local terms energy: -77.738676
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -218.698607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.698607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.698607 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.010
local terms energy: -75.790288
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -182.326038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.326038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.326038 (E_RNA)
where:
Base-Base interactions energy: -117.707
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.220
local terms energy: -64.398591
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -125.712192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.712192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.712192 (E_RNA)
where:
Base-Base interactions energy: -70.442
where: short stacking energy: -47.353
Base-Backbone interact. energy: -0.216
local terms energy: -55.054256
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -9.799
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: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -93.762183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.762183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.762183 (E_RNA)
where:
Base-Base interactions energy: -46.862
where: short stacking energy: -35.324
Base-Backbone interact. energy: -0.256
local terms energy: -46.643883
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -4.510
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: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -80.647232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.647232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.647232 (E_RNA)
where:
Base-Base interactions energy: -30.537
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.332
local terms energy: -49.777956
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -79.512814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.512814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.512814 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -19.897
Base-Backbone interact. energy: -0.080
local terms energy: -47.972699
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -81.644914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.644914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.644914 (E_RNA)
where:
Base-Base interactions energy: -30.460
where: short stacking energy: -30.460
Base-Backbone interact. energy: -0.339
local terms energy: -50.846539
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -234.870977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.870977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.870977 (E_RNA)
where:
Base-Base interactions energy: -156.352
where: short stacking energy: -71.225
Base-Backbone interact. energy: -0.041
local terms energy: -78.477984
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -222.511720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.511720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.511720 (E_RNA)
where:
Base-Base interactions energy: -142.365
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.011
local terms energy: -80.135245
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -224.219014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.219014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.219014 (E_RNA)
where:
Base-Base interactions energy: -146.848
where: short stacking energy: -66.242
Base-Backbone interact. energy: -0.266
local terms energy: -77.105294
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -213.916385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.916385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.916385 (E_RNA)
where:
Base-Base interactions energy: -137.301
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.573
local terms energy: -76.042561
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -184.874323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.874323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.874323 (E_RNA)
where:
Base-Base interactions energy: -120.664
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.157
local terms energy: -64.053264
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -107.569869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.569869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.569869 (E_RNA)
where:
Base-Base interactions energy: -47.249
where: short stacking energy: -47.101
Base-Backbone interact. energy: -0.100
local terms energy: -60.221650
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -102.745781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.745781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.745781 (E_RNA)
where:
Base-Base interactions energy: -60.263
where: short stacking energy: -20.447
Base-Backbone interact. energy: 0.987
local terms energy: -43.470713
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: 1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -93.409935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.409935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.409935 (E_RNA)
where:
Base-Base interactions energy: -45.023
where: short stacking energy: -30.397
Base-Backbone interact. energy: -0.129
local terms energy: -48.258069
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -4.926
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -5.068
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: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -95.163993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.163993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.163993 (E_RNA)
where:
Base-Base interactions energy: -35.275
where: short stacking energy: -35.275
Base-Backbone interact. energy: -0.140
local terms energy: -59.748803
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -81.784630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.784630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.784630 (E_RNA)
where:
Base-Base interactions energy: -41.905
where: short stacking energy: -25.181
Base-Backbone interact. energy: 0.175
local terms energy: -40.054334
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -4.586
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -240.653193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.653193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.653193 (E_RNA)
where:
Base-Base interactions energy: -156.456
where: short stacking energy: -76.372
Base-Backbone interact. energy: -0.011
local terms energy: -84.186296
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -22.615
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: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -227.757698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.757698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.757698 (E_RNA)
where:
Base-Base interactions energy: -147.866
where: short stacking energy: -71.942
Base-Backbone interact. energy: -1.497
local terms energy: -78.395440
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -219.997953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.997953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.997953 (E_RNA)
where:
Base-Base interactions energy: -155.530
where: short stacking energy: -69.742
Base-Backbone interact. energy: -0.113
local terms energy: -64.354646
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -193.819904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.819904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.819904 (E_RNA)
where:
Base-Base interactions energy: -124.657
where: short stacking energy: -55.721
Base-Backbone interact. energy: -1.091
local terms energy: -68.072185
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -191.601709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.601709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.601709 (E_RNA)
where:
Base-Base interactions energy: -123.532
where: short stacking energy: -62.158
Base-Backbone interact. energy: -0.562
local terms energy: -67.507131
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.560
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: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -200.612195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.612195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.612195 (E_RNA)
where:
Base-Base interactions energy: -131.698
where: short stacking energy: -64.388
Base-Backbone interact. energy: -0.307
local terms energy: -68.607390
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -103.975655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.975655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.975655 (E_RNA)
where:
Base-Base interactions energy: -50.443
where: short stacking energy: -25.062
Base-Backbone interact. energy: -0.298
local terms energy: -53.234926
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -79.820442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.820442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.820442 (E_RNA)
where:
Base-Base interactions energy: -26.458
where: short stacking energy: -26.458
Base-Backbone interact. energy: -0.211
local terms energy: -53.151201
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -7.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -83.233977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.233977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.233977 (E_RNA)
where:
Base-Base interactions energy: -33.405
where: short stacking energy: -33.405
Base-Backbone interact. energy: -0.020
local terms energy: -49.809169
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -89.929009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.929009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.929009 (E_RNA)
where:
Base-Base interactions energy: -40.440
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.186
local terms energy: -49.303888
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -227.754594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.754594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.754594 (E_RNA)
where:
Base-Base interactions energy: -150.338
where: short stacking energy: -64.939
Base-Backbone interact. energy: -0.052
local terms energy: -77.364678
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -8.975
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: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -235.402414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.402414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.402414 (E_RNA)
where:
Base-Base interactions energy: -154.418
where: short stacking energy: -75.386
Base-Backbone interact. energy: 0.939
local terms energy: -81.923896
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -205.252917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.252917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.252917 (E_RNA)
where:
Base-Base interactions energy: -133.947
where: short stacking energy: -65.339
Base-Backbone interact. energy: -0.304
local terms energy: -71.002093
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -226.582138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.582138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.582138 (E_RNA)
where:
Base-Base interactions energy: -149.018
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.053
local terms energy: -77.510545
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -21.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -220.179508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.179508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.179508 (E_RNA)
where:
Base-Base interactions energy: -150.642
where: short stacking energy: -76.122
Base-Backbone interact. energy: -1.183
local terms energy: -68.353828
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -206.300961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.300961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.300961 (E_RNA)
where:
Base-Base interactions energy: -138.469
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.114
local terms energy: -67.718098
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -9.967
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: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -90.517818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517818 (E_RNA)
where:
Base-Base interactions energy: -32.761
where: short stacking energy: -31.971
Base-Backbone interact. energy: -0.093
local terms energy: -57.663201
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.359
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: 42
Temperature: 1.250000
Total energy: -91.573866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.573866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.573866 (E_RNA)
where:
Base-Base interactions energy: -41.018
where: short stacking energy: -36.404
Base-Backbone interact. energy: 1.563
local terms energy: -52.118993
where:
bonds (distance) C4'-P energy: -7.036
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -85.025646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.025646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.025646 (E_RNA)
where:
Base-Base interactions energy: -31.782
where: short stacking energy: -29.689
Base-Backbone interact. energy: 0.547
local terms energy: -53.790940
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -81.354279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.354279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.354279 (E_RNA)
where:
Base-Base interactions energy: -22.551
where: short stacking energy: -22.551
Base-Backbone interact. energy: -0.030
local terms energy: -58.773281
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -231.840636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.840636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.840636 (E_RNA)
where:
Base-Base interactions energy: -156.286
where: short stacking energy: -72.504
Base-Backbone interact. energy: 0.571
local terms energy: -76.126105
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -227.196343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.196343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.196343 (E_RNA)
where:
Base-Base interactions energy: -149.103
where: short stacking energy: -68.516
Base-Backbone interact. energy: -0.398
local terms energy: -77.695163
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -194.726739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.726739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.726739 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -60.605
Base-Backbone interact. energy: -0.292
local terms energy: -73.327838
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -219.101371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.101371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.101371 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -71.574
Base-Backbone interact. energy: -0.440
local terms energy: -77.228717
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -212.915967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.915967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.915967 (E_RNA)
where:
Base-Base interactions energy: -136.182
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.300
local terms energy: -76.433924
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -208.237800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.237800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.237800 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -64.177
Base-Backbone interact. energy: 1.155
local terms energy: -74.965753
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -96.688584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.688584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.688584 (E_RNA)
where:
Base-Base interactions energy: -45.968
where: short stacking energy: -22.284
Base-Backbone interact. energy: -0.412
local terms energy: -50.308671
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -79.938892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.938892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.938892 (E_RNA)
where:
Base-Base interactions energy: -29.939
where: short stacking energy: -29.915
Base-Backbone interact. energy: -0.097
local terms energy: -49.903335
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -2.717
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -77.053638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.053638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.053638 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -31.060
Base-Backbone interact. energy: 0.572
local terms energy: -43.788232
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -5.374
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: 7
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -76.474506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.474506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.474506 (E_RNA)
where:
Base-Base interactions energy: -33.437
where: short stacking energy: -32.163
Base-Backbone interact. energy: -0.007
local terms energy: -43.031250
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -7.253
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -237.334141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.334141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.334141 (E_RNA)
where:
Base-Base interactions energy: -153.535
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.001
local terms energy: -83.798316
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -23.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -225.749114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.749114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.749114 (E_RNA)
where:
Base-Base interactions energy: -148.382
where: short stacking energy: -68.183
Base-Backbone interact. energy: -0.665
local terms energy: -76.702689
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -21.024
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: 3, replica: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -225.333486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.333486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.333486 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -70.851
Base-Backbone interact. energy: -0.093
local terms energy: -72.645367
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -191.036991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.036991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.036991 (E_RNA)
where:
Base-Base interactions energy: -120.480
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.064
local terms energy: -70.492828
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -7.349
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: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -199.058141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.058141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.058141 (E_RNA)
where:
Base-Base interactions energy: -128.448
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.102
local terms energy: -70.508242
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -13.088
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: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -205.141112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.141112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.141112 (E_RNA)
where:
Base-Base interactions energy: -135.269
where: short stacking energy: -61.031
Base-Backbone interact. energy: 0.474
local terms energy: -70.346401
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -88.378492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.378492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.378492 (E_RNA)
where:
Base-Base interactions energy: -41.319
where: short stacking energy: -20.628
Base-Backbone interact. energy: -0.078
local terms energy: -46.981508
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -82.030992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.030992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.030992 (E_RNA)
where:
Base-Base interactions energy: -30.831
where: short stacking energy: -29.529
Base-Backbone interact. energy: -0.357
local terms energy: -50.842707
where:
bonds (distance) C4'-P energy: -8.202
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -78.848879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.848879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.848879 (E_RNA)
where:
Base-Base interactions energy: -29.420
where: short stacking energy: -29.420
Base-Backbone interact. energy: -0.021
local terms energy: -49.408100
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.442
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: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -84.537130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.537130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.537130 (E_RNA)
where:
Base-Base interactions energy: -47.753
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.119
local terms energy: -36.665002
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: 0.574
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -237.208199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.208199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.208199 (E_RNA)
where:
Base-Base interactions energy: -158.766
where: short stacking energy: -77.417
Base-Backbone interact. energy: -0.004
local terms energy: -78.437921
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -224.562872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.562872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.562872 (E_RNA)
where:
Base-Base interactions energy: -143.875
where: short stacking energy: -68.213
Base-Backbone interact. energy: -1.184
local terms energy: -79.503680
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -20.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -217.933867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.933867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.933867 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.504
local terms energy: -80.867500
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -21.679
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: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -206.458369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.458369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.458369 (E_RNA)
where:
Base-Base interactions energy: -131.754
where: short stacking energy: -67.027
Base-Backbone interact. energy: -1.617
local terms energy: -73.087190
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -8.104
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: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -182.012875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.012875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.012875 (E_RNA)
where:
Base-Base interactions energy: -119.019
where: short stacking energy: -59.964
Base-Backbone interact. energy: 0.390
local terms energy: -63.383880
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -207.458527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.458527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.458527 (E_RNA)
where:
Base-Base interactions energy: -129.912
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.630
local terms energy: -76.916392
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -128.719330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.719330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.719330 (E_RNA)
where:
Base-Base interactions energy: -70.423
where: short stacking energy: -38.518
Base-Backbone interact. energy: -0.735
local terms energy: -57.562023
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -7.546
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: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -90.617806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.617806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.617806 (E_RNA)
where:
Base-Base interactions energy: -42.865
where: short stacking energy: -32.186
Base-Backbone interact. energy: 0.377
local terms energy: -48.130461
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: 1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -77.880297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.880297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.880297 (E_RNA)
where:
Base-Base interactions energy: -35.005
where: short stacking energy: -33.096
Base-Backbone interact. energy: -0.117
local terms energy: -42.758697
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -6.615
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -84.418818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.418818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.418818 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -29.068
Base-Backbone interact. energy: -0.143
local terms energy: -54.750217
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -236.569587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.569587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.569587 (E_RNA)
where:
Base-Base interactions energy: -150.360
where: short stacking energy: -68.038
Base-Backbone interact. energy: -0.000
local terms energy: -86.209543
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -222.764208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.764208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.764208 (E_RNA)
where:
Base-Base interactions energy: -149.383
where: short stacking energy: -64.586
Base-Backbone interact. energy: -0.493
local terms energy: -72.888212
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -222.045464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.045464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.045464 (E_RNA)
where:
Base-Base interactions energy: -148.552
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.552
local terms energy: -72.941732
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -215.340312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.340312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.340312 (E_RNA)
where:
Base-Base interactions energy: -142.610
where: short stacking energy: -61.785
Base-Backbone interact. energy: -0.245
local terms energy: -72.485209
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.709
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: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -217.105287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.105287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.105287 (E_RNA)
where:
Base-Base interactions energy: -143.605
where: short stacking energy: -74.513
Base-Backbone interact. energy: -0.306
local terms energy: -73.194068
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -176.969901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.969901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.969901 (E_RNA)
where:
Base-Base interactions energy: -111.535
where: short stacking energy: -52.358
Base-Backbone interact. energy: -0.113
local terms energy: -65.321692
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -8.154
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: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -142.997192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.997192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.997192 (E_RNA)
where:
Base-Base interactions energy: -79.578
where: short stacking energy: -43.732
Base-Backbone interact. energy: 2.003
local terms energy: -65.422295
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -95.348854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.348854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.348854 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -38.329
Base-Backbone interact. energy: -0.027
local terms energy: -51.520013
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -5.572
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: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -84.591721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.591721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.591721 (E_RNA)
where:
Base-Base interactions energy: -34.798
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.270
local terms energy: -49.523178
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -6.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -76.539462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.539462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.539462 (E_RNA)
where:
Base-Base interactions energy: -24.640
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.045
local terms energy: -51.854082
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: 0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -225.335593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.335593 (E_RNA)
where:
Base-Base interactions energy: -146.047
where: short stacking energy: -73.616
Base-Backbone interact. energy: -0.345
local terms energy: -78.944164
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -224.992029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.992029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.992029 (E_RNA)
where:
Base-Base interactions energy: -151.548
where: short stacking energy: -69.630
Base-Backbone interact. energy: -0.706
local terms energy: -72.738041
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -219.475386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.475386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.475386 (E_RNA)
where:
Base-Base interactions energy: -140.080
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.890
local terms energy: -78.505351
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -222.981142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981142 (E_RNA)
where:
Base-Base interactions energy: -143.519
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.767
local terms energy: -78.695665
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -19.983
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: 10
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -211.726747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.726747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.726747 (E_RNA)
where:
Base-Base interactions energy: -144.170
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.736
local terms energy: -66.821513
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -175.581190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.581190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.581190 (E_RNA)
where:
Base-Base interactions energy: -109.163
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.028
local terms energy: -66.389732
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -129.839263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.839263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.839263 (E_RNA)
where:
Base-Base interactions energy: -72.627
where: short stacking energy: -38.059
Base-Backbone interact. energy: -1.018
local terms energy: -56.194224
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -90.672692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.672692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.672692 (E_RNA)
where:
Base-Base interactions energy: -34.914
where: short stacking energy: -34.674
Base-Backbone interact. energy: -0.217
local terms energy: -55.541589
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -3.446
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: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -81.781977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.781977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.781977 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -26.881
Base-Backbone interact. energy: -0.276
local terms energy: -43.114195
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -4.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -78.212781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.212781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.212781 (E_RNA)
where:
Base-Base interactions energy: -29.461
where: short stacking energy: -29.056
Base-Backbone interact. energy: -0.124
local terms energy: -48.627640
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -228.962147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.962147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.962147 (E_RNA)
where:
Base-Base interactions energy: -150.857
where: short stacking energy: -69.687
Base-Backbone interact. energy: -0.002
local terms energy: -78.103235
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -230.133917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.133917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.133917 (E_RNA)
where:
Base-Base interactions energy: -147.516
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.075
local terms energy: -82.543223
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -22.311
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: 48
Temperature: 1.000000
Total energy: -214.824662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.824662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.824662 (E_RNA)
where:
Base-Base interactions energy: -137.932
where: short stacking energy: -64.672
Base-Backbone interact. energy: -0.639
local terms energy: -76.254064
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -219.631454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.631454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.631454 (E_RNA)
where:
Base-Base interactions energy: -139.370
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.090
local terms energy: -80.171473
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -220.672521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.672521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.672521 (E_RNA)
where:
Base-Base interactions energy: -146.505
where: short stacking energy: -69.312
Base-Backbone interact. energy: -0.018
local terms energy: -74.149718
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -9.854
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -188.816177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.816177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.816177 (E_RNA)
where:
Base-Base interactions energy: -122.700
where: short stacking energy: -62.641
Base-Backbone interact. energy: -0.094
local terms energy: -66.022146
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -86.420677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.420677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.420677 (E_RNA)
where:
Base-Base interactions energy: -34.553
where: short stacking energy: -33.575
Base-Backbone interact. energy: -0.012
local terms energy: -51.855738
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -135.677929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.677929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.677929 (E_RNA)
where:
Base-Base interactions energy: -76.524
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.181
local terms energy: -58.973138
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -9.769
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: 48
Temperature: 1.300000
Total energy: -78.992262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.992262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.992262 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -20.809
Base-Backbone interact. energy: 1.001
local terms energy: -45.419277
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: 1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -79.611805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.611805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.611805 (E_RNA)
where:
Base-Base interactions energy: -25.318
where: short stacking energy: -20.372
Base-Backbone interact. energy: -0.309
local terms energy: -53.985304
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -1.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -233.800540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.800540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.800540 (E_RNA)
where:
Base-Base interactions energy: -152.625
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.287
local terms energy: -80.888899
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -23.761
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: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -234.151193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.151193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.151193 (E_RNA)
where:
Base-Base interactions energy: -152.474
where: short stacking energy: -77.098
Base-Backbone interact. energy: -0.001
local terms energy: -81.675985
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -218.917572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.917572 (E_RNA)
where:
Base-Base interactions energy: -146.712
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.010
local terms energy: -72.195450
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -220.710083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.710083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.710083 (E_RNA)
where:
Base-Base interactions energy: -144.863
where: short stacking energy: -68.604
Base-Backbone interact. energy: -0.010
local terms energy: -75.836770
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -208.251173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.251173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.251173 (E_RNA)
where:
Base-Base interactions energy: -136.655
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.683
local terms energy: -70.913059
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -185.685851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.685851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.685851 (E_RNA)
where:
Base-Base interactions energy: -117.021
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.181
local terms energy: -68.484578
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -97.941170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.941170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.941170 (E_RNA)
where:
Base-Base interactions energy: -46.510
where: short stacking energy: -34.856
Base-Backbone interact. energy: -0.103
local terms energy: -51.328816
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -7.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -100.662372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.662372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.662372 (E_RNA)
where:
Base-Base interactions energy: -49.483
where: short stacking energy: -25.146
Base-Backbone interact. energy: -0.187
local terms energy: -50.992537
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.566
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: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -118.597425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.597425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.597425 (E_RNA)
where:
Base-Base interactions energy: -66.980
where: short stacking energy: -43.194
Base-Backbone interact. energy: -0.170
local terms energy: -51.447713
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -11.815
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: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -75.298325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.298325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.298325 (E_RNA)
where:
Base-Base interactions energy: -22.514
where: short stacking energy: -19.948
Base-Backbone interact. energy: -0.028
local terms energy: -52.756375
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: 1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -241.480674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.480674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.480674 (E_RNA)
where:
Base-Base interactions energy: -157.420
where: short stacking energy: -73.689
Base-Backbone interact. energy: -0.022
local terms energy: -84.038384
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -23.065
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: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -230.562670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.562670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.562670 (E_RNA)
where:
Base-Base interactions energy: -157.438
where: short stacking energy: -70.755
Base-Backbone interact. energy: -0.000
local terms energy: -73.124250
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -21.724
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: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -216.447813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.447813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.447813 (E_RNA)
where:
Base-Base interactions energy: -148.358
where: short stacking energy: -69.509
Base-Backbone interact. energy: -0.011
local terms energy: -68.079115
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -214.300705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.300705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.300705 (E_RNA)
where:
Base-Base interactions energy: -131.195
where: short stacking energy: -68.524
Base-Backbone interact. energy: -0.823
local terms energy: -82.282116
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -19.820
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: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -188.319083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.319083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.319083 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -59.996
Base-Backbone interact. energy: -0.093
local terms energy: -68.050769
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -211.284416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.284416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.284416 (E_RNA)
where:
Base-Base interactions energy: -142.759
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.130
local terms energy: -68.394954
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -92.825899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.825899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.825899 (E_RNA)
where:
Base-Base interactions energy: -34.103
where: short stacking energy: -34.103
Base-Backbone interact. energy: -0.014
local terms energy: -58.708226
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -96.557125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.557125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.557125 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -39.241
Base-Backbone interact. energy: -0.022
local terms energy: -57.293629
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -8.302
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: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -88.346121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.346121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.346121 (E_RNA)
where:
Base-Base interactions energy: -28.591
where: short stacking energy: -28.591
Base-Backbone interact. energy: -0.209
local terms energy: -59.546481
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -75.079250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.079250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.079250 (E_RNA)
where:
Base-Base interactions energy: -36.132
where: short stacking energy: -20.774
Base-Backbone interact. energy: -0.045
local terms energy: -38.902939
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: 4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -242.054169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.054169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.054169 (E_RNA)
where:
Base-Base interactions energy: -157.187
where: short stacking energy: -77.887
Base-Backbone interact. energy: -0.092
local terms energy: -84.774883
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -230.676176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.676176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.676176 (E_RNA)
where:
Base-Base interactions energy: -154.389
where: short stacking energy: -70.233
Base-Backbone interact. energy: -0.003
local terms energy: -76.284083
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -220.730515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.730515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.730515 (E_RNA)
where:
Base-Base interactions energy: -151.131
where: short stacking energy: -68.785
Base-Backbone interact. energy: 2.947
local terms energy: -72.546699
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -219.391984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.391984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.391984 (E_RNA)
where:
Base-Base interactions energy: -145.269
where: short stacking energy: -72.136
Base-Backbone interact. energy: -0.010
local terms energy: -74.112992
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -22.412
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: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -188.596120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.596120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.596120 (E_RNA)
where:
Base-Base interactions energy: -118.742
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.071
local terms energy: -69.782835
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -206.910211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.910211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.910211 (E_RNA)
where:
Base-Base interactions energy: -144.764
where: short stacking energy: -60.518
Base-Backbone interact. energy: 1.741
local terms energy: -63.887097
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -94.571275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.571275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.571275 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -29.667
Base-Backbone interact. energy: 0.717
local terms energy: -61.296626
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -83.698784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.698784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.698784 (E_RNA)
where:
Base-Base interactions energy: -28.617
where: short stacking energy: -27.372
Base-Backbone interact. energy: 0.380
local terms energy: -55.462182
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -91.147486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147486 (E_RNA)
where:
Base-Base interactions energy: -35.483
where: short stacking energy: -19.509
Base-Backbone interact. energy: -0.125
local terms energy: -55.540191
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -81.070927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.070927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.070927 (E_RNA)
where:
Base-Base interactions energy: -27.273
where: short stacking energy: -23.725
Base-Backbone interact. energy: -0.143
local terms energy: -53.655094
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -234.443301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.443301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.443301 (E_RNA)
where:
Base-Base interactions energy: -159.125
where: short stacking energy: -77.084
Base-Backbone interact. energy: 0.013
local terms energy: -75.331923
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.748
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: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -220.486810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.486810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.486810 (E_RNA)
where:
Base-Base interactions energy: -148.989
where: short stacking energy: -67.856
Base-Backbone interact. energy: -0.740
local terms energy: -70.757443
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -215.091663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.091663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.091663 (E_RNA)
where:
Base-Base interactions energy: -150.676
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.020
local terms energy: -64.395009
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -15.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -214.833549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.833549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.833549 (E_RNA)
where:
Base-Base interactions energy: -137.002
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.953
local terms energy: -76.878703
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -197.790219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.790219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.790219 (E_RNA)
where:
Base-Base interactions energy: -127.856
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.944
local terms energy: -68.990011
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -180.660335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.660335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.660335 (E_RNA)
where:
Base-Base interactions energy: -115.403
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.091
local terms energy: -65.166863
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -92.120106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.120106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.120106 (E_RNA)
where:
Base-Base interactions energy: -37.445
where: short stacking energy: -37.445
Base-Backbone interact. energy: -0.125
local terms energy: -54.550174
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -89.794335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.794335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.794335 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -36.236
Base-Backbone interact. energy: -0.407
local terms energy: -51.844117
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -9.812
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: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -83.756845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.756845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.756845 (E_RNA)
where:
Base-Base interactions energy: -33.570
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.241
local terms energy: -49.945975
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -82.333211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.333211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.333211 (E_RNA)
where:
Base-Base interactions energy: -40.690
where: short stacking energy: -40.690
Base-Backbone interact. energy: -0.713
local terms energy: -40.930985
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -233.303547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.303547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.303547 (E_RNA)
where:
Base-Base interactions energy: -159.866
where: short stacking energy: -77.785
Base-Backbone interact. energy: -0.255
local terms energy: -73.182715
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -223.398980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.398980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.398980 (E_RNA)
where:
Base-Base interactions energy: -146.665
where: short stacking energy: -64.929
Base-Backbone interact. energy: -0.304
local terms energy: -76.430189
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -22.217
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: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -220.174792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.174792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.174792 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.007
local terms energy: -71.153552
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -213.051132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.051132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.051132 (E_RNA)
where:
Base-Base interactions energy: -136.393
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.788
local terms energy: -75.869813
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -18.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -202.594464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.594464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.594464 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.963
local terms energy: -75.134799
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -165.257097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.257097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.257097 (E_RNA)
where:
Base-Base interactions energy: -101.011
where: short stacking energy: -46.990
Base-Backbone interact. energy: -0.074
local terms energy: -64.172457
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -116.930756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.930756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.930756 (E_RNA)
where:
Base-Base interactions energy: -58.957
where: short stacking energy: -40.874
Base-Backbone interact. energy: 0.110
local terms energy: -58.083517
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -8.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -86.370290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.370290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.370290 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -21.507
Base-Backbone interact. energy: -0.404
local terms energy: -54.335984
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: 2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -91.138672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138672 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -26.730
Base-Backbone interact. energy: -0.061
local terms energy: -51.174912
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -6.008
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: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -74.938012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.938012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.938012 (E_RNA)
where:
Base-Base interactions energy: -30.373
where: short stacking energy: -24.992
Base-Backbone interact. energy: 1.871
local terms energy: -46.435109
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -231.019642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.019642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.019642 (E_RNA)
where:
Base-Base interactions energy: -154.603
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.089
local terms energy: -76.327910
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -230.910837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.910837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.910837 (E_RNA)
where:
Base-Base interactions energy: -152.721
where: short stacking energy: -68.837
Base-Backbone interact. energy: -0.015
local terms energy: -78.175206
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -222.354534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.354534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.354534 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -67.931
Base-Backbone interact. energy: -1.226
local terms energy: -79.486945
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -218.270395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.270395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.270395 (E_RNA)
where:
Base-Base interactions energy: -144.802
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.113
local terms energy: -73.355429
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -208.506578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.506578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.506578 (E_RNA)
where:
Base-Base interactions energy: -140.464
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.029
local terms energy: -68.014104
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -139.707652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.707652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.707652 (E_RNA)
where:
Base-Base interactions energy: -81.427
where: short stacking energy: -28.737
Base-Backbone interact. energy: -0.583
local terms energy: -57.698294
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -84.521070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.521070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.521070 (E_RNA)
where:
Base-Base interactions energy: -32.422
where: short stacking energy: -24.405
Base-Backbone interact. energy: -1.015
local terms energy: -51.084277
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -86.625289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.625289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.625289 (E_RNA)
where:
Base-Base interactions energy: -27.346
where: short stacking energy: -27.346
Base-Backbone interact. energy: -0.175
local terms energy: -59.104560
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -90.870012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.870012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.870012 (E_RNA)
where:
Base-Base interactions energy: -34.572
where: short stacking energy: -28.089
Base-Backbone interact. energy: 0.048
local terms energy: -56.345894
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -3.920
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -80.063934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.063934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.063934 (E_RNA)
where:
Base-Base interactions energy: -25.729
where: short stacking energy: -20.218
Base-Backbone interact. energy: -0.101
local terms energy: -54.234038
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: 0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -238.586031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.586031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.586031 (E_RNA)
where:
Base-Base interactions energy: -158.538
where: short stacking energy: -77.170
Base-Backbone interact. energy: -0.413
local terms energy: -79.634418
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -233.371829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.371829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.371829 (E_RNA)
where:
Base-Base interactions energy: -156.050
where: short stacking energy: -76.296
Base-Backbone interact. energy: -0.124
local terms energy: -77.197582
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -21.638
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: 3, replica: 10
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -216.635686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.635686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.635686 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -70.608
Base-Backbone interact. energy: -0.080
local terms energy: -74.293627
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -221.965180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.965180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.965180 (E_RNA)
where:
Base-Base interactions energy: -151.965
where: short stacking energy: -68.153
Base-Backbone interact. energy: -0.044
local terms energy: -69.955708
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -214.213556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.213556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.213556 (E_RNA)
where:
Base-Base interactions energy: -139.235
where: short stacking energy: -66.067
Base-Backbone interact. energy: -0.405
local terms energy: -74.573970
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.162
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: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -121.539243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.539243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.539243 (E_RNA)
where:
Base-Base interactions energy: -75.782
where: short stacking energy: -27.460
Base-Backbone interact. energy: -0.537
local terms energy: -45.220482
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -96.082073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.082073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.082073 (E_RNA)
where:
Base-Base interactions energy: -51.109
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.244
local terms energy: -44.728522
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -88.667780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.667780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.667780 (E_RNA)
where:
Base-Base interactions energy: -42.972
where: short stacking energy: -31.515
Base-Backbone interact. energy: 0.814
local terms energy: -46.509965
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -9.182
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -77.462790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.462790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.462790 (E_RNA)
where:
Base-Base interactions energy: -29.880
where: short stacking energy: -25.715
Base-Backbone interact. energy: -0.545
local terms energy: -47.038664
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: 1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -71.617122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.617122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.617122 (E_RNA)
where:
Base-Base interactions energy: -21.989
where: short stacking energy: -21.530
Base-Backbone interact. energy: -0.111
local terms energy: -49.517021
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -232.968425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.968425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.968425 (E_RNA)
where:
Base-Base interactions energy: -151.247
where: short stacking energy: -75.370
Base-Backbone interact. energy: -0.080
local terms energy: -81.641285
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -22.605
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: 56
Temperature: 0.950000
Total energy: -220.371328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.371328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.371328 (E_RNA)
where:
Base-Base interactions energy: -146.087
where: short stacking energy: -67.957
Base-Backbone interact. energy: -0.258
local terms energy: -74.027086
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -221.179528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.179528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.179528 (E_RNA)
where:
Base-Base interactions energy: -140.691
where: short stacking energy: -68.706
Base-Backbone interact. energy: -0.009
local terms energy: -80.480158
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -18.727
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: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -221.837462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.837462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.837462 (E_RNA)
where:
Base-Base interactions energy: -144.919
where: short stacking energy: -71.870
Base-Backbone interact. energy: -0.218
local terms energy: -76.700297
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -23.667
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: 56
Temperature: 1.100000
Total energy: -204.893855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.893855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.893855 (E_RNA)
where:
Base-Base interactions energy: -134.536
where: short stacking energy: -61.903
Base-Backbone interact. energy: -0.102
local terms energy: -70.255538
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -16.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -122.932493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.932493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.932493 (E_RNA)
where:
Base-Base interactions energy: -62.322
where: short stacking energy: -35.948
Base-Backbone interact. energy: -0.150
local terms energy: -60.460133
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -6.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -102.225933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.225933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.225933 (E_RNA)
where:
Base-Base interactions energy: -55.423
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.006
local terms energy: -46.796690
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -5.054
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -89.661481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.661481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.661481 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -37.115
Base-Backbone interact. energy: 3.145
local terms energy: -55.422257
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -13.067
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: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -83.732708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.732708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.732708 (E_RNA)
where:
Base-Base interactions energy: -37.779
where: short stacking energy: -33.991
Base-Backbone interact. energy: -0.136
local terms energy: -45.818301
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -8.729
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -80.737149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.737149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.737149 (E_RNA)
where:
Base-Base interactions energy: -36.292
where: short stacking energy: -21.813
Base-Backbone interact. energy: -0.045
local terms energy: -44.400293
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -9.009
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -232.543834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.543834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.543834 (E_RNA)
where:
Base-Base interactions energy: -154.650
where: short stacking energy: -72.027
Base-Backbone interact. energy: -0.005
local terms energy: -77.888841
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -224.976732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.976732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.976732 (E_RNA)
where:
Base-Base interactions energy: -143.503
where: short stacking energy: -67.310
Base-Backbone interact. energy: -1.221
local terms energy: -80.252850
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -220.112784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112784 (E_RNA)
where:
Base-Base interactions energy: -149.340
where: short stacking energy: -66.221
Base-Backbone interact. energy: -0.012
local terms energy: -70.761427
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -225.469321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.469321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.469321 (E_RNA)
where:
Base-Base interactions energy: -147.304
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.951
local terms energy: -77.213701
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -209.878844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.878844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.878844 (E_RNA)
where:
Base-Base interactions energy: -134.493
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.098
local terms energy: -75.288005
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -136.139045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.139045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.139045 (E_RNA)
where:
Base-Base interactions energy: -77.680
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.031
local terms energy: -58.427457
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -93.076351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.076351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.076351 (E_RNA)
where:
Base-Base interactions energy: -43.214
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.779
local terms energy: -49.083242
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -91.053952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.053952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.053952 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -36.949
Base-Backbone interact. energy: -0.056
local terms energy: -54.048772
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -81.284936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.284936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.284936 (E_RNA)
where:
Base-Base interactions energy: -27.670
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.067
local terms energy: -53.548279
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -7.608
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: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -83.294431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.294431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.294431 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -33.496
Base-Backbone interact. energy: 0.900
local terms energy: -46.560515
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -8.269
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -233.516694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.516694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.516694 (E_RNA)
where:
Base-Base interactions energy: -152.085
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.937
local terms energy: -80.494848
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -230.552794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.552794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.552794 (E_RNA)
where:
Base-Base interactions energy: -148.707
where: short stacking energy: -66.953
Base-Backbone interact. energy: -0.972
local terms energy: -80.873785
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -223.044044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.044044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.044044 (E_RNA)
where:
Base-Base interactions energy: -145.699
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.083
local terms energy: -77.262716
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -212.172783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.172783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.172783 (E_RNA)
where:
Base-Base interactions energy: -144.036
where: short stacking energy: -69.078
Base-Backbone interact. energy: -0.156
local terms energy: -67.980030
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -19.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -203.094403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.094403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.094403 (E_RNA)
where:
Base-Base interactions energy: -132.519
where: short stacking energy: -54.352
Base-Backbone interact. energy: -0.861
local terms energy: -69.714453
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -120.802132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.802132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.802132 (E_RNA)
where:
Base-Base interactions energy: -68.441
where: short stacking energy: -24.363
Base-Backbone interact. energy: -0.924
local terms energy: -51.437373
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -86.187399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.187399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.187399 (E_RNA)
where:
Base-Base interactions energy: -28.785
where: short stacking energy: -28.785
Base-Backbone interact. energy: -0.201
local terms energy: -57.201169
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.775
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -88.021508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.021508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.021508 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -35.844
Base-Backbone interact. energy: -0.422
local terms energy: -51.755588
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -6.009
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: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -115.434521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.434521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.434521 (E_RNA)
where:
Base-Base interactions energy: -61.139
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.615
local terms energy: -53.680328
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -6.446
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: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -83.883637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.883637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.883637 (E_RNA)
where:
Base-Base interactions energy: -30.871
where: short stacking energy: -30.780
Base-Backbone interact. energy: -0.227
local terms energy: -52.785527
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -228.978923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.978923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.978923 (E_RNA)
where:
Base-Base interactions energy: -142.775
where: short stacking energy: -72.162
Base-Backbone interact. energy: -1.250
local terms energy: -84.954338
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -236.499459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.499459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.499459 (E_RNA)
where:
Base-Base interactions energy: -154.805
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.001
local terms energy: -81.693046
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -23.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -226.130721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.130721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.130721 (E_RNA)
where:
Base-Base interactions energy: -151.798
where: short stacking energy: -68.818
Base-Backbone interact. energy: -0.290
local terms energy: -74.042291
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -212.851751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.851751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.851751 (E_RNA)
where:
Base-Base interactions energy: -143.853
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.202
local terms energy: -68.796770
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.765
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: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -211.257859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.257859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.257859 (E_RNA)
where:
Base-Base interactions energy: -141.084
where: short stacking energy: -62.421
Base-Backbone interact. energy: -0.084
local terms energy: -70.089965
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -91.606057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606057 (E_RNA)
where:
Base-Base interactions energy: -34.442
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.097
local terms energy: -57.066279
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -114.075617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.075617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.075617 (E_RNA)
where:
Base-Base interactions energy: -56.888
where: short stacking energy: -40.141
Base-Backbone interact. energy: -0.185
local terms energy: -57.002651
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -97.593311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.593311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.593311 (E_RNA)
where:
Base-Base interactions energy: -43.952
where: short stacking energy: -43.952
Base-Backbone interact. energy: -0.080
local terms energy: -53.562096
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -86.297174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.297174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.297174 (E_RNA)
where:
Base-Base interactions energy: -32.420
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.175
local terms energy: -53.701501
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -8.971
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: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -82.543864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.543864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.543864 (E_RNA)
where:
Base-Base interactions energy: -33.028
where: short stacking energy: -33.028
Base-Backbone interact. energy: -0.028
local terms energy: -49.488126
where:
bonds (distance) C4'-P energy: -7.697
bonds (distance) P-C4' energy: -11.687
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -9.188
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: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -240.181741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.181741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.181741 (E_RNA)
where:
Base-Base interactions energy: -157.113
where: short stacking energy: -75.287
Base-Backbone interact. energy: -0.152
local terms energy: -82.915961
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -232.267371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.267371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.267371 (E_RNA)
where:
Base-Base interactions energy: -147.377
where: short stacking energy: -73.313
Base-Backbone interact. energy: -0.229
local terms energy: -84.661294
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -24.972
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: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -217.615938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.615938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.615938 (E_RNA)
where:
Base-Base interactions energy: -144.309
where: short stacking energy: -73.017
Base-Backbone interact. energy: -0.159
local terms energy: -73.147899
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -219.169338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.169338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.169338 (E_RNA)
where:
Base-Base interactions energy: -150.137
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.057
local terms energy: -68.975473
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -208.775810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.775810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.775810 (E_RNA)
where:
Base-Base interactions energy: -141.836
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.003
local terms energy: -66.937176
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -9.856
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -105.038688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.038688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.038688 (E_RNA)
where:
Base-Base interactions energy: -54.710
where: short stacking energy: -28.732
Base-Backbone interact. energy: 1.896
local terms energy: -52.224709
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -121.665307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.665307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.665307 (E_RNA)
where:
Base-Base interactions energy: -73.176
where: short stacking energy: -46.086
Base-Backbone interact. energy: -0.004
local terms energy: -48.485857
where:
bonds (distance) C4'-P energy: -3.877
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -95.143646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.143646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.143646 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -25.420
Base-Backbone interact. energy: -0.210
local terms energy: -47.892465
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -78.772138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.772138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.772138 (E_RNA)
where:
Base-Base interactions energy: -27.679
where: short stacking energy: -26.567
Base-Backbone interact. energy: -0.333
local terms energy: -50.760485
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -77.245506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.245506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.245506 (E_RNA)
where:
Base-Base interactions energy: -32.858
where: short stacking energy: -27.332
Base-Backbone interact. energy: -0.005
local terms energy: -44.382718
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: 1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -240.499904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.499904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.499904 (E_RNA)
where:
Base-Base interactions energy: -162.589
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.393
local terms energy: -77.518500
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -22.739
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: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -225.413598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.413598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.413598 (E_RNA)
where:
Base-Base interactions energy: -151.548
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.359
local terms energy: -73.506351
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -21.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -220.890967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.890967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.890967 (E_RNA)
where:
Base-Base interactions energy: -138.250
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.080
local terms energy: -82.561357
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -214.011207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.011207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.011207 (E_RNA)
where:
Base-Base interactions energy: -136.390
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.225
local terms energy: -77.396437
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -213.196430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.196430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.196430 (E_RNA)
where:
Base-Base interactions energy: -146.217
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.007
local terms energy: -66.972539
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -126.089739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.089739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.089739 (E_RNA)
where:
Base-Base interactions energy: -72.252
where: short stacking energy: -43.194
Base-Backbone interact. energy: -0.176
local terms energy: -53.661237
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -100.422044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.422044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.422044 (E_RNA)
where:
Base-Base interactions energy: -37.974
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.046
local terms energy: -62.401533
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -10.823
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: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -86.204854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.204854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.204854 (E_RNA)
where:
Base-Base interactions energy: -35.387
where: short stacking energy: -22.878
Base-Backbone interact. energy: -0.321
local terms energy: -50.496842
where:
bonds (distance) C4'-P energy: -6.923
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -81.254505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.254505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.254505 (E_RNA)
where:
Base-Base interactions energy: -32.740
where: short stacking energy: -27.084
Base-Backbone interact. energy: -0.005
local terms energy: -48.509934
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -70.569640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.569640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.569640 (E_RNA)
where:
Base-Base interactions energy: -25.623
where: short stacking energy: -25.282
Base-Backbone interact. energy: -0.041
local terms energy: -44.906132
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: 3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -224.506147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.506147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.506147 (E_RNA)
where:
Base-Base interactions energy: -147.153
where: short stacking energy: -70.859
Base-Backbone interact. energy: -0.002
local terms energy: -77.351280
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -229.558977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.558977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.558977 (E_RNA)
where:
Base-Base interactions energy: -152.478
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.001
local terms energy: -77.079839
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -20.114
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: 62
Temperature: 1.000000
Total energy: -224.655544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.655544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.655544 (E_RNA)
where:
Base-Base interactions energy: -150.873
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.469
local terms energy: -73.313559
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -9.879
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -10.804
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: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -221.420016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.420016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.420016 (E_RNA)
where:
Base-Base interactions energy: -144.588
where: short stacking energy: -69.864
Base-Backbone interact. energy: -0.375
local terms energy: -76.457415
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -201.818411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.818411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.818411 (E_RNA)
where:
Base-Base interactions energy: -133.913
where: short stacking energy: -59.489
Base-Backbone interact. energy: -0.015
local terms energy: -67.890707
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -134.141175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.141175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.141175 (E_RNA)
where:
Base-Base interactions energy: -83.257
where: short stacking energy: -43.351
Base-Backbone interact. energy: -0.082
local terms energy: -50.802490
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -7.748
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: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -106.548779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.548779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.548779 (E_RNA)
where:
Base-Base interactions energy: -51.618
where: short stacking energy: -35.161
Base-Backbone interact. energy: -0.261
local terms energy: -54.669748
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -95.746689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.746689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.746689 (E_RNA)
where:
Base-Base interactions energy: -44.253
where: short stacking energy: -41.422
Base-Backbone interact. energy: -0.218
local terms energy: -51.275737
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.277
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: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -81.116399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.116399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.116399 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -24.349
Base-Backbone interact. energy: -0.301
local terms energy: -45.982863
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -99.090338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.090338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.090338 (E_RNA)
where:
Base-Base interactions energy: -49.673
where: short stacking energy: -25.490
Base-Backbone interact. energy: -0.231
local terms energy: -49.186117
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -1.912
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -232.302623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.302623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.302623 (E_RNA)
where:
Base-Base interactions energy: -149.723
where: short stacking energy: -73.920
Base-Backbone interact. energy: -2.009
local terms energy: -80.570862
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -233.666608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.666608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666608 (E_RNA)
where:
Base-Base interactions energy: -153.556
where: short stacking energy: -74.684
Base-Backbone interact. energy: -0.087
local terms energy: -80.023912
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -218.413679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.413679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.413679 (E_RNA)
where:
Base-Base interactions energy: -149.747
where: short stacking energy: -62.601
Base-Backbone interact. energy: -0.134
local terms energy: -68.533373
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -213.873602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.873602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.873602 (E_RNA)
where:
Base-Base interactions energy: -138.746
where: short stacking energy: -69.118
Base-Backbone interact. energy: 0.890
local terms energy: -76.018358
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -19.412
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: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -216.667525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.667525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.667525 (E_RNA)
where:
Base-Base interactions energy: -140.191
where: short stacking energy: -61.749
Base-Backbone interact. energy: -0.013
local terms energy: -76.462816
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -19.373
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: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -152.192176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.192176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.192176 (E_RNA)
where:
Base-Base interactions energy: -89.441
where: short stacking energy: -46.169
Base-Backbone interact. energy: -0.047
local terms energy: -62.704641
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -93.212798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.212798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.212798 (E_RNA)
where:
Base-Base interactions energy: -38.058
where: short stacking energy: -38.058
Base-Backbone interact. energy: -0.098
local terms energy: -55.056896
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -7.255
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: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -89.348571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.348571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.348571 (E_RNA)
where:
Base-Base interactions energy: -34.952
where: short stacking energy: -28.529
Base-Backbone interact. energy: -0.056
local terms energy: -54.340348
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.799
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: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -85.818548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.818548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.818548 (E_RNA)
where:
Base-Base interactions energy: -37.770
where: short stacking energy: -30.801
Base-Backbone interact. energy: -0.246
local terms energy: -47.802667
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -79.375750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.375750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.375750 (E_RNA)
where:
Base-Base interactions energy: -29.553
where: short stacking energy: -26.519
Base-Backbone interact. energy: -0.009
local terms energy: -49.813830
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -236.460756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.460756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.460756 (E_RNA)
where:
Base-Base interactions energy: -160.650
where: short stacking energy: -77.590
Base-Backbone interact. energy: -0.015
local terms energy: -75.795892
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -19.279
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: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -225.089372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.089372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.089372 (E_RNA)
where:
Base-Base interactions energy: -146.799
where: short stacking energy: -71.776
Base-Backbone interact. energy: -1.647
local terms energy: -76.643230
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -217.913251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913251 (E_RNA)
where:
Base-Base interactions energy: -142.607
where: short stacking energy: -70.339
Base-Backbone interact. energy: -1.514
local terms energy: -73.792537
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.781
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: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -218.839015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.839015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.839015 (E_RNA)
where:
Base-Base interactions energy: -146.310
where: short stacking energy: -67.832
Base-Backbone interact. energy: -0.014
local terms energy: -72.514398
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -212.688935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.688935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.688935 (E_RNA)
where:
Base-Base interactions energy: -141.871
where: short stacking energy: -74.343
Base-Backbone interact. energy: -0.155
local terms energy: -70.663160
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -154.287955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.287955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.287955 (E_RNA)
where:
Base-Base interactions energy: -97.393
where: short stacking energy: -49.222
Base-Backbone interact. energy: -0.766
local terms energy: -56.128420
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -11.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -92.577695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.577695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.577695 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -35.932
Base-Backbone interact. energy: -0.056
local terms energy: -56.426985
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -93.755129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.755129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.755129 (E_RNA)
where:
Base-Base interactions energy: -37.992
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.726
local terms energy: -55.037008
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -6.446
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: 64
Temperature: 1.300000
Total energy: -83.987199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.987199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987199 (E_RNA)
where:
Base-Base interactions energy: -44.235
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.041
local terms energy: -39.711373
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -7.385
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: 1.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -77.253764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.253764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.253764 (E_RNA)
where:
Base-Base interactions energy: -39.996
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.325
local terms energy: -36.933078
where:
bonds (distance) C4'-P energy: -7.158
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -235.601159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.601159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.601159 (E_RNA)
where:
Base-Base interactions energy: -157.591
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.355
local terms energy: -77.655332
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -226.625284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.625284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.625284 (E_RNA)
where:
Base-Base interactions energy: -150.460
where: short stacking energy: -74.014
Base-Backbone interact. energy: -0.007
local terms energy: -76.158066
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -12.455
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: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -216.040764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.040764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.040764 (E_RNA)
where:
Base-Base interactions energy: -142.652
where: short stacking energy: -62.123
Base-Backbone interact. energy: -1.245
local terms energy: -72.143279
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -210.869256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.869256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.869256 (E_RNA)
where:
Base-Base interactions energy: -133.227
where: short stacking energy: -64.330
Base-Backbone interact. energy: -1.324
local terms energy: -76.318304
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -213.224859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.224859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.224859 (E_RNA)
where:
Base-Base interactions energy: -142.554
where: short stacking energy: -66.980
Base-Backbone interact. energy: -1.403
local terms energy: -69.267789
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -100.468314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.468314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.468314 (E_RNA)
where:
Base-Base interactions energy: -47.758
where: short stacking energy: -47.758
Base-Backbone interact. energy: -0.018
local terms energy: -52.692249
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -1.291
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -167.205216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.205216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.205216 (E_RNA)
where:
Base-Base interactions energy: -104.510
where: short stacking energy: -50.521
Base-Backbone interact. energy: -0.015
local terms energy: -62.680344
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -87.025815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.025815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.025815 (E_RNA)
where:
Base-Base interactions energy: -33.536
where: short stacking energy: -31.603
Base-Backbone interact. energy: -0.129
local terms energy: -53.361004
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -9.621
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: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -87.399703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.399703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.399703 (E_RNA)
where:
Base-Base interactions energy: -44.729
where: short stacking energy: -38.728
Base-Backbone interact. energy: -0.110
local terms energy: -42.560738
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -91.675218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.675218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.675218 (E_RNA)
where:
Base-Base interactions energy: -34.958
where: short stacking energy: -28.129
Base-Backbone interact. energy: -0.094
local terms energy: -56.623287
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -236.839831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.839831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.839831 (E_RNA)
where:
Base-Base interactions energy: -154.167
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.596
local terms energy: -82.076634
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -11.807
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: 2, replica: 10
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -228.072910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.072910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.072910 (E_RNA)
where:
Base-Base interactions energy: -152.296
where: short stacking energy: -76.791
Base-Backbone interact. energy: -0.003
local terms energy: -75.773298
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -213.641963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.641963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.641963 (E_RNA)
where:
Base-Base interactions energy: -143.021
where: short stacking energy: -59.960
Base-Backbone interact. energy: 0.477
local terms energy: -71.097685
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -202.934636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.934636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.934636 (E_RNA)
where:
Base-Base interactions energy: -134.629
where: short stacking energy: -59.742
Base-Backbone interact. energy: -0.712
local terms energy: -67.593389
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -213.313619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.313619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.313619 (E_RNA)
where:
Base-Base interactions energy: -145.873
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.576
local terms energy: -66.863801
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -10.846
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: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -100.057629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.057629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.057629 (E_RNA)
where:
Base-Base interactions energy: -43.278
where: short stacking energy: -41.613
Base-Backbone interact. energy: -0.189
local terms energy: -56.591115
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -165.860393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.860393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.860393 (E_RNA)
where:
Base-Base interactions energy: -107.855
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.621
local terms energy: -57.384253
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -107.733068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.733068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.733068 (E_RNA)
where:
Base-Base interactions energy: -65.850
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.131
local terms energy: -41.752349
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -8.778
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: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -85.471066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.471066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.471066 (E_RNA)
where:
Base-Base interactions energy: -39.671
where: short stacking energy: -24.388
Base-Backbone interact. energy: -0.183
local terms energy: -45.617561
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -79.625465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.625465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.625465 (E_RNA)
where:
Base-Base interactions energy: -34.703
where: short stacking energy: -29.368
Base-Backbone interact. energy: -0.924
local terms energy: -43.998783
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -5.837
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: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -230.067023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.067023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.067023 (E_RNA)
where:
Base-Base interactions energy: -147.528
where: short stacking energy: -70.836
Base-Backbone interact. energy: -0.574
local terms energy: -81.964572
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -20.964
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: 10
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -226.041822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.041822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.041822 (E_RNA)
where:
Base-Base interactions energy: -149.161
where: short stacking energy: -78.973
Base-Backbone interact. energy: -0.149
local terms energy: -76.731943
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -224.647080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.647080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.647080 (E_RNA)
where:
Base-Base interactions energy: -146.794
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.008
local terms energy: -77.845717
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -211.048484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.048484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.048484 (E_RNA)
where:
Base-Base interactions energy: -137.912
where: short stacking energy: -62.427
Base-Backbone interact. energy: -0.557
local terms energy: -72.579291
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -206.219607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.219607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.219607 (E_RNA)
where:
Base-Base interactions energy: -138.665
where: short stacking energy: -56.020
Base-Backbone interact. energy: 0.524
local terms energy: -68.078543
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -221.208247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.208247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.208247 (E_RNA)
where:
Base-Base interactions energy: -149.595
where: short stacking energy: -61.473
Base-Backbone interact. energy: -0.012
local terms energy: -71.601227
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -87.086451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.086451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.086451 (E_RNA)
where:
Base-Base interactions energy: -42.718
where: short stacking energy: -25.108
Base-Backbone interact. energy: -0.391
local terms energy: -43.977851
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -91.743980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.743980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.743980 (E_RNA)
where:
Base-Base interactions energy: -41.601
where: short stacking energy: -19.207
Base-Backbone interact. energy: -1.103
local terms energy: -49.039530
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: 0.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -87.488371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.488371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.488371 (E_RNA)
where:
Base-Base interactions energy: -36.573
where: short stacking energy: -35.000
Base-Backbone interact. energy: 1.085
local terms energy: -51.999909
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -5.164
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: 10, replica: 8
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -78.158995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.158995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.158995 (E_RNA)
where:
Base-Base interactions energy: -33.240
where: short stacking energy: -33.240
Base-Backbone interact. energy: -0.051
local terms energy: -44.867925
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -233.652193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.652193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.652193 (E_RNA)
where:
Base-Base interactions energy: -154.916
where: short stacking energy: -81.499
Base-Backbone interact. energy: -1.689
local terms energy: -77.047097
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -232.301822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.301822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.301822 (E_RNA)
where:
Base-Base interactions energy: -149.220
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.690
local terms energy: -82.391798
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -230.186560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.186560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.186560 (E_RNA)
where:
Base-Base interactions energy: -149.309
where: short stacking energy: -67.131
Base-Backbone interact. energy: -0.632
local terms energy: -80.245519
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -20.418
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: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -212.513955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.513955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.513955 (E_RNA)
where:
Base-Base interactions energy: -133.252
where: short stacking energy: -61.201
Base-Backbone interact. energy: -1.370
local terms energy: -77.891690
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -16.700
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: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -213.941280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.941280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.941280 (E_RNA)
where:
Base-Base interactions energy: -144.759
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.016
local terms energy: -69.166994
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -204.547410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.547410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.547410 (E_RNA)
where:
Base-Base interactions energy: -133.983
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.015
local terms energy: -70.548880
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -103.643717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.643717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.643717 (E_RNA)
where:
Base-Base interactions energy: -46.503
where: short stacking energy: -34.459
Base-Backbone interact. energy: -0.130
local terms energy: -57.010892
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -8.673
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: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -85.569271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.569271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.569271 (E_RNA)
where:
Base-Base interactions energy: -34.040
where: short stacking energy: -30.999
Base-Backbone interact. energy: -0.264
local terms energy: -51.264547
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -5.673
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: 8
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -82.726734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.726734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.726734 (E_RNA)
where:
Base-Base interactions energy: -33.202
where: short stacking energy: -22.313
Base-Backbone interact. energy: 0.835
local terms energy: -50.359453
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -81.992325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.992325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.992325 (E_RNA)
where:
Base-Base interactions energy: -29.454
where: short stacking energy: -29.310
Base-Backbone interact. energy: -0.277
local terms energy: -52.261796
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -233.397782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.397782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.397782 (E_RNA)
where:
Base-Base interactions energy: -147.243
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.242
local terms energy: -85.913590
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -23.737
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: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -218.376754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.376754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.376754 (E_RNA)
where:
Base-Base interactions energy: -145.619
where: short stacking energy: -66.456
Base-Backbone interact. energy: -0.417
local terms energy: -72.341157
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -214.289394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.289394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.289394 (E_RNA)
where:
Base-Base interactions energy: -138.337
where: short stacking energy: -61.518
Base-Backbone interact. energy: 0.081
local terms energy: -76.032534
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -11.303
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: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -225.551124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.551124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.551124 (E_RNA)
where:
Base-Base interactions energy: -147.397
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.019
local terms energy: -78.134930
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -219.277017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.277017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.277017 (E_RNA)
where:
Base-Base interactions energy: -146.188
where: short stacking energy: -62.306
Base-Backbone interact. energy: -0.507
local terms energy: -72.581487
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -198.747007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.747007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.747007 (E_RNA)
where:
Base-Base interactions energy: -135.033
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.002
local terms energy: -63.712383
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -91.914190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.914190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.914190 (E_RNA)
where:
Base-Base interactions energy: -40.983
where: short stacking energy: -40.983
Base-Backbone interact. energy: 0.220
local terms energy: -51.151305
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -7.650
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -78.757941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.757941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.757941 (E_RNA)
where:
Base-Base interactions energy: -28.294
where: short stacking energy: -23.012
Base-Backbone interact. energy: -0.242
local terms energy: -50.222302
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: 3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -94.566360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.566360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.566360 (E_RNA)
where:
Base-Base interactions energy: -53.345
where: short stacking energy: -28.019
Base-Backbone interact. energy: 1.492
local terms energy: -42.712661
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: 0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -78.882117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.882117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.882117 (E_RNA)
where:
Base-Base interactions energy: -25.896
where: short stacking energy: -16.976
Base-Backbone interact. energy: -0.170
local terms energy: -52.816028
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -0.865
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: 10
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -228.889743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.889743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.889743 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.577
local terms energy: -80.011018
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -22.267
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: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -207.925052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.925052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.925052 (E_RNA)
where:
Base-Base interactions energy: -135.346
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.372
local terms energy: -72.207648
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -228.754089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.754089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.754089 (E_RNA)
where:
Base-Base interactions energy: -146.778
where: short stacking energy: -70.823
Base-Backbone interact. energy: -0.169
local terms energy: -81.806949
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -22.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -226.822296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.822296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.822296 (E_RNA)
where:
Base-Base interactions energy: -147.113
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.352
local terms energy: -79.356841
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -214.814984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814984 (E_RNA)
where:
Base-Base interactions energy: -141.534
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.041
local terms energy: -73.239992
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -213.227092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.227092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.227092 (E_RNA)
where:
Base-Base interactions energy: -137.674
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.840
local terms energy: -74.712452
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -6.475
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: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -103.606456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.606456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.606456 (E_RNA)
where:
Base-Base interactions energy: -53.334
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.345
local terms energy: -49.928007
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -79.637310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.637310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.637310 (E_RNA)
where:
Base-Base interactions energy: -26.350
where: short stacking energy: -19.169
Base-Backbone interact. energy: -0.063
local terms energy: -53.224022
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -80.171905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.171905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.171905 (E_RNA)
where:
Base-Base interactions energy: -30.810
where: short stacking energy: -23.611
Base-Backbone interact. energy: 0.367
local terms energy: -49.728729
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -77.160488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.160488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.160488 (E_RNA)
where:
Base-Base interactions energy: -31.682
where: short stacking energy: -22.723
Base-Backbone interact. energy: -0.694
local terms energy: -44.784025
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -231.959756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.959756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.959756 (E_RNA)
where:
Base-Base interactions energy: -152.680
where: short stacking energy: -74.978
Base-Backbone interact. energy: -1.763
local terms energy: -77.516675
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -22.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -236.928322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.928322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.928322 (E_RNA)
where:
Base-Base interactions energy: -158.413
where: short stacking energy: -77.454
Base-Backbone interact. energy: -0.036
local terms energy: -78.478937
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -209.117417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.117417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.117417 (E_RNA)
where:
Base-Base interactions energy: -138.811
where: short stacking energy: -62.047
Base-Backbone interact. energy: -1.321
local terms energy: -68.985396
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -216.250584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.250584 (E_RNA)
where:
Base-Base interactions energy: -145.851
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.047
local terms energy: -70.352209
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -205.636196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.636196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.636196 (E_RNA)
where:
Base-Base interactions energy: -133.564
where: short stacking energy: -56.429
Base-Backbone interact. energy: -0.015
local terms energy: -72.056815
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -9.635
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: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -203.241383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.241383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.241383 (E_RNA)
where:
Base-Base interactions energy: -140.152
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.270
local terms energy: -62.819145
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -15.217
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: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -134.887987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.887987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.887987 (E_RNA)
where:
Base-Base interactions energy: -80.746
where: short stacking energy: -39.049
Base-Backbone interact. energy: -0.211
local terms energy: -53.930663
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -88.489529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.489529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.489529 (E_RNA)
where:
Base-Base interactions energy: -40.904
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.015
local terms energy: -47.570944
where:
bonds (distance) C4'-P energy: -7.786
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -88.713440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.713440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.713440 (E_RNA)
where:
Base-Base interactions energy: -32.557
where: short stacking energy: -32.500
Base-Backbone interact. energy: -0.198
local terms energy: -55.958865
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -4.700
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: 71
Temperature: 1.350000
Total energy: -81.449936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.449936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.449936 (E_RNA)
where:
Base-Base interactions energy: -26.245
where: short stacking energy: -25.189
Base-Backbone interact. energy: 0.141
local terms energy: -55.345570
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -9.261
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -234.162153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.162153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.162153 (E_RNA)
where:
Base-Base interactions energy: -156.737
where: short stacking energy: -69.854
Base-Backbone interact. energy: -0.001
local terms energy: -77.423998
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -8.942
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: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -228.447753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.447753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.447753 (E_RNA)
where:
Base-Base interactions energy: -151.840
where: short stacking energy: -73.099
Base-Backbone interact. energy: -0.533
local terms energy: -76.074260
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -23.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -223.148410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.148410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.148410 (E_RNA)
where:
Base-Base interactions energy: -147.452
where: short stacking energy: -69.084
Base-Backbone interact. energy: -0.594
local terms energy: -75.102518
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -223.199627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.199627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.199627 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -67.833
Base-Backbone interact. energy: -0.327
local terms energy: -74.166109
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -12.049
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: 5, replica: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -215.351225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.351225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351225 (E_RNA)
where:
Base-Base interactions energy: -143.261
where: short stacking energy: -63.154
Base-Backbone interact. energy: -0.091
local terms energy: -71.999867
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -190.175659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.175659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.175659 (E_RNA)
where:
Base-Base interactions energy: -119.880
where: short stacking energy: -50.406
Base-Backbone interact. energy: -0.023
local terms energy: -70.272110
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -107.460289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.460289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.460289 (E_RNA)
where:
Base-Base interactions energy: -61.052
where: short stacking energy: -33.878
Base-Backbone interact. energy: -0.277
local terms energy: -46.132152
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -88.508415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.508415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.508415 (E_RNA)
where:
Base-Base interactions energy: -38.977
where: short stacking energy: -21.035
Base-Backbone interact. energy: -1.606
local terms energy: -47.925316
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -82.170988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170988 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -20.313
Base-Backbone interact. energy: -0.922
local terms energy: -46.590811
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: 3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -69.678943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.678943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.678943 (E_RNA)
where:
Base-Base interactions energy: -20.951
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.124
local terms energy: -48.603980
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: 3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -236.294072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.294072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.294072 (E_RNA)
where:
Base-Base interactions energy: -157.324
where: short stacking energy: -71.702
Base-Backbone interact. energy: -0.005
local terms energy: -78.964885
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -11.298
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: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -234.814802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.814802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.814802 (E_RNA)
where:
Base-Base interactions energy: -156.001
where: short stacking energy: -70.922
Base-Backbone interact. energy: -0.004
local terms energy: -78.810080
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -223.023008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.023008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.023008 (E_RNA)
where:
Base-Base interactions energy: -139.571
where: short stacking energy: -69.150
Base-Backbone interact. energy: -0.122
local terms energy: -83.330047
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -216.384937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.384937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.384937 (E_RNA)
where:
Base-Base interactions energy: -142.431
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.100
local terms energy: -73.853355
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -208.958863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.958863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.958863 (E_RNA)
where:
Base-Base interactions energy: -144.729
where: short stacking energy: -65.344
Base-Backbone interact. energy: -1.539
local terms energy: -62.691133
where:
bonds (distance) C4'-P energy: -7.794
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -211.493745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.493745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.493745 (E_RNA)
where:
Base-Base interactions energy: -141.040
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.005
local terms energy: -70.448288
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -103.932055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.932055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.932055 (E_RNA)
where:
Base-Base interactions energy: -55.953
where: short stacking energy: -36.540
Base-Backbone interact. energy: -0.204
local terms energy: -47.775297
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -87.665952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.665952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.665952 (E_RNA)
where:
Base-Base interactions energy: -45.148
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.154
local terms energy: -42.363294
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -75.886899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.886899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.886899 (E_RNA)
where:
Base-Base interactions energy: -27.283
where: short stacking energy: -19.988
Base-Backbone interact. energy: -0.305
local terms energy: -48.298369
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: 1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.292896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.292896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.292896 (E_RNA)
where:
Base-Base interactions energy: -46.047
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.540
local terms energy: -34.706076
where:
bonds (distance) C4'-P energy: -4.810
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -9.202
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -235.518461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.518461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.518461 (E_RNA)
where:
Base-Base interactions energy: -156.350
where: short stacking energy: -71.988
Base-Backbone interact. energy: -0.048
local terms energy: -79.120379
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -19.410
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: 9
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -228.785048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.785048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.785048 (E_RNA)
where:
Base-Base interactions energy: -148.507
where: short stacking energy: -73.694
Base-Backbone interact. energy: -0.003
local terms energy: -80.275377
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -222.070108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.070108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.070108 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -59.353
Base-Backbone interact. energy: -0.258
local terms energy: -71.736200
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -207.462582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.462582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.462582 (E_RNA)
where:
Base-Base interactions energy: -136.970
where: short stacking energy: -67.983
Base-Backbone interact. energy: -0.076
local terms energy: -70.416914
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -207.439324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.439324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.439324 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.320
local terms energy: -65.116931
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -208.754437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.754437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.754437 (E_RNA)
where:
Base-Base interactions energy: -143.228
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.509
local terms energy: -65.017359
where:
bonds (distance) C4'-P energy: -5.615
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -96.098834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.098834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.098834 (E_RNA)
where:
Base-Base interactions energy: -40.654
where: short stacking energy: -40.654
Base-Backbone interact. energy: -0.030
local terms energy: -55.414629
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -92.669028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.669028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.669028 (E_RNA)
where:
Base-Base interactions energy: -39.918
where: short stacking energy: -24.591
Base-Backbone interact. energy: -0.227
local terms energy: -52.524176
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -9.204
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: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -102.793110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.793110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.793110 (E_RNA)
where:
Base-Base interactions energy: -51.760
where: short stacking energy: -28.236
Base-Backbone interact. energy: -0.077
local terms energy: -50.956374
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: 1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -81.266672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.266672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.266672 (E_RNA)
where:
Base-Base interactions energy: -31.869
where: short stacking energy: -21.871
Base-Backbone interact. energy: -0.199
local terms energy: -49.199101
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -244.319641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.319641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.319641 (E_RNA)
where:
Base-Base interactions energy: -160.655
where: short stacking energy: -75.015
Base-Backbone interact. energy: -0.600
local terms energy: -83.064807
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -236.639550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.639550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.639550 (E_RNA)
where:
Base-Base interactions energy: -153.442
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.528
local terms energy: -82.669479
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -218.868452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.868452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.868452 (E_RNA)
where:
Base-Base interactions energy: -145.894
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.591
local terms energy: -72.383430
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -8.383
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: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -219.422298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.422298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.422298 (E_RNA)
where:
Base-Base interactions energy: -150.630
where: short stacking energy: -69.874
Base-Backbone interact. energy: -0.004
local terms energy: -68.788436
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -213.002356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.002356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.002356 (E_RNA)
where:
Base-Base interactions energy: -137.702
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.548
local terms energy: -74.752369
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -208.466089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.466089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.466089 (E_RNA)
where:
Base-Base interactions energy: -144.339
where: short stacking energy: -63.454
Base-Backbone interact. energy: -0.401
local terms energy: -63.725702
where:
bonds (distance) C4'-P energy: -7.120
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -110.240022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.240022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.240022 (E_RNA)
where:
Base-Base interactions energy: -62.143
where: short stacking energy: -32.131
Base-Backbone interact. energy: -0.256
local terms energy: -47.841161
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -6.968
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -90.159550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.159550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.159550 (E_RNA)
where:
Base-Base interactions energy: -42.013
where: short stacking energy: -32.718
Base-Backbone interact. energy: 0.009
local terms energy: -48.155811
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -2.346
tors. eta vs tors. theta energy: -3.165
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: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -90.024212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.024212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.024212 (E_RNA)
where:
Base-Base interactions energy: -38.454
where: short stacking energy: -24.174
Base-Backbone interact. energy: -0.050
local terms energy: -51.520187
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -86.473828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473828 (E_RNA)
where:
Base-Base interactions energy: -39.464
where: short stacking energy: -29.311
Base-Backbone interact. energy: 1.123
local terms energy: -48.132698
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -224.494309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.494309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.494309 (E_RNA)
where:
Base-Base interactions energy: -150.871
where: short stacking energy: -63.989
Base-Backbone interact. energy: 0.258
local terms energy: -73.881825
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -235.008310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.008310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.008310 (E_RNA)
where:
Base-Base interactions energy: -159.880
where: short stacking energy: -76.285
Base-Backbone interact. energy: -0.002
local terms energy: -75.126109
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -222.444763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.444763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.444763 (E_RNA)
where:
Base-Base interactions energy: -145.784
where: short stacking energy: -71.848
Base-Backbone interact. energy: -0.017
local terms energy: -76.644301
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -20.092
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: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -227.058173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.058173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.058173 (E_RNA)
where:
Base-Base interactions energy: -147.403
where: short stacking energy: -70.886
Base-Backbone interact. energy: -0.640
local terms energy: -79.015294
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -213.743310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.743310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.743310 (E_RNA)
where:
Base-Base interactions energy: -144.123
where: short stacking energy: -63.834
Base-Backbone interact. energy: 0.678
local terms energy: -70.298652
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -210.284959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.284959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.284959 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.086
local terms energy: -70.719485
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -135.272151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.272151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.272151 (E_RNA)
where:
Base-Base interactions energy: -84.801
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.078
local terms energy: -50.392960
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -80.369218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.369218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.369218 (E_RNA)
where:
Base-Base interactions energy: -33.279
where: short stacking energy: -28.200
Base-Backbone interact. energy: -0.123
local terms energy: -46.966786
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -86.086631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.086631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.086631 (E_RNA)
where:
Base-Base interactions energy: -39.303
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.207
local terms energy: -46.576519
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -5.742
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: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -94.550723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.550723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.550723 (E_RNA)
where:
Base-Base interactions energy: -46.091
where: short stacking energy: -26.312
Base-Backbone interact. energy: 0.961
local terms energy: -49.420577
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -230.593829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.593829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.593829 (E_RNA)
where:
Base-Base interactions energy: -149.989
where: short stacking energy: -71.869
Base-Backbone interact. energy: -1.567
local terms energy: -79.037190
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -220.186096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.186096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.186096 (E_RNA)
where:
Base-Base interactions energy: -145.207
where: short stacking energy: -63.894
Base-Backbone interact. energy: -1.047
local terms energy: -73.932442
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -226.182174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.182174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.182174 (E_RNA)
where:
Base-Base interactions energy: -153.359
where: short stacking energy: -73.051
Base-Backbone interact. energy: -0.001
local terms energy: -72.822426
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -20.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -218.377627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.377627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.377627 (E_RNA)
where:
Base-Base interactions energy: -146.122
where: short stacking energy: -71.698
Base-Backbone interact. energy: -0.051
local terms energy: -72.204959
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -222.389283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.389283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.389283 (E_RNA)
where:
Base-Base interactions energy: -144.894
where: short stacking energy: -67.421
Base-Backbone interact. energy: -0.586
local terms energy: -76.908831
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -200.945710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.945710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.945710 (E_RNA)
where:
Base-Base interactions energy: -137.765
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.229
local terms energy: -62.952347
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -7.002
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -19.322
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: 77
Temperature: 1.200000
Total energy: -120.928168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.928168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.928168 (E_RNA)
where:
Base-Base interactions energy: -76.206
where: short stacking energy: -30.260
Base-Backbone interact. energy: -0.168
local terms energy: -44.553503
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -0.505
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: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -97.305239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.305239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.305239 (E_RNA)
where:
Base-Base interactions energy: -54.867
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.230
local terms energy: -42.208289
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -7.939
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: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -81.646239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.646239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.646239 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -25.344
Base-Backbone interact. energy: -0.006
local terms energy: -49.051013
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -3.718
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: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -95.265143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.265143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.265143 (E_RNA)
where:
Base-Base interactions energy: -49.566
where: short stacking energy: -31.135
Base-Backbone interact. energy: -0.332
local terms energy: -45.366650
where:
bonds (distance) C4'-P energy: -8.138
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -7.959
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -233.869677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.869677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.869677 (E_RNA)
where:
Base-Base interactions energy: -152.303
where: short stacking energy: -72.692
Base-Backbone interact. energy: -1.507
local terms energy: -80.059641
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -10.598
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: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -230.750873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.750873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.750873 (E_RNA)
where:
Base-Base interactions energy: -153.704
where: short stacking energy: -75.077
Base-Backbone interact. energy: -0.745
local terms energy: -76.302101
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -20.582
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: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -231.063369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.063369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.063369 (E_RNA)
where:
Base-Base interactions energy: -160.037
where: short stacking energy: -77.868
Base-Backbone interact. energy: -1.032
local terms energy: -69.994199
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.792
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: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -215.027177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.027177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.027177 (E_RNA)
where:
Base-Base interactions energy: -144.903
where: short stacking energy: -71.391
Base-Backbone interact. energy: -0.004
local terms energy: -70.121010
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -214.841063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.841063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.841063 (E_RNA)
where:
Base-Base interactions energy: -142.044
where: short stacking energy: -66.460
Base-Backbone interact. energy: -0.438
local terms energy: -72.358942
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -209.614985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.614985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.614985 (E_RNA)
where:
Base-Base interactions energy: -135.667
where: short stacking energy: -66.303
Base-Backbone interact. energy: -0.225
local terms energy: -73.722727
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.943
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: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -86.085119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.085119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.085119 (E_RNA)
where:
Base-Base interactions energy: -29.918
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.026
local terms energy: -56.141285
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -111.030033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.030033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.030033 (E_RNA)
where:
Base-Base interactions energy: -60.075
where: short stacking energy: -28.230
Base-Backbone interact. energy: -0.184
local terms energy: -50.770567
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -2.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -96.801095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.801095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.801095 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -23.184
Base-Backbone interact. energy: -0.352
local terms energy: -53.248206
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -73.296414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.296414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.296414 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -18.175
Base-Backbone interact. energy: -0.228
local terms energy: -43.766452
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -7.295
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: 2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -228.977652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.977652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.977652 (E_RNA)
where:
Base-Base interactions energy: -150.550
where: short stacking energy: -70.885
Base-Backbone interact. energy: 0.979
local terms energy: -79.406003
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -17.896
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: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -230.671710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.671710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.671710 (E_RNA)
where:
Base-Base interactions energy: -150.720
where: short stacking energy: -75.513
Base-Backbone interact. energy: -1.318
local terms energy: -78.633473
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -23.164
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: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -223.735368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.735368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.735368 (E_RNA)
where:
Base-Base interactions energy: -148.103
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.450
local terms energy: -75.182499
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -226.984042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.984042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.984042 (E_RNA)
where:
Base-Base interactions energy: -152.480
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.507
local terms energy: -73.997203
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -197.662402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.662402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.662402 (E_RNA)
where:
Base-Base interactions energy: -132.623
where: short stacking energy: -63.121
Base-Backbone interact. energy: -1.053
local terms energy: -63.985596
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -217.835512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.835512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.835512 (E_RNA)
where:
Base-Base interactions energy: -141.475
where: short stacking energy: -67.525
Base-Backbone interact. energy: -0.012
local terms energy: -76.349147
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -99.165552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.165552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.165552 (E_RNA)
where:
Base-Base interactions energy: -45.772
where: short stacking energy: -30.867
Base-Backbone interact. energy: -0.035
local terms energy: -53.358239
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -7.739
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: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -87.317640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.317640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.317640 (E_RNA)
where:
Base-Base interactions energy: -37.528
where: short stacking energy: -36.741
Base-Backbone interact. energy: -0.149
local terms energy: -49.640777
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -95.458747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.458747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.458747 (E_RNA)
where:
Base-Base interactions energy: -33.455
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.268
local terms energy: -61.736043
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -76.913607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.913607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.913607 (E_RNA)
where:
Base-Base interactions energy: -21.017
where: short stacking energy: -21.017
Base-Backbone interact. energy: -0.033
local terms energy: -55.863955
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -229.142050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.142050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.142050 (E_RNA)
where:
Base-Base interactions energy: -149.005
where: short stacking energy: -66.555
Base-Backbone interact. energy: -1.009
local terms energy: -79.128057
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -13.816
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: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -228.451266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.451266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.451266 (E_RNA)
where:
Base-Base interactions energy: -154.845
where: short stacking energy: -73.790
Base-Backbone interact. energy: -0.019
local terms energy: -73.587609
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -218.505478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.505478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.505478 (E_RNA)
where:
Base-Base interactions energy: -139.870
where: short stacking energy: -71.182
Base-Backbone interact. energy: -0.118
local terms energy: -78.516908
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -223.222297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.222297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.222297 (E_RNA)
where:
Base-Base interactions energy: -146.246
where: short stacking energy: -65.535
Base-Backbone interact. energy: -0.007
local terms energy: -76.969675
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -211.912013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.912013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.912013 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -60.574
Base-Backbone interact. energy: -0.058
local terms energy: -76.413510
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -12.860
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: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -192.845689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.845689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.845689 (E_RNA)
where:
Base-Base interactions energy: -128.882
where: short stacking energy: -53.868
Base-Backbone interact. energy: -1.374
local terms energy: -62.589279
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -91.953442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.953442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.953442 (E_RNA)
where:
Base-Base interactions energy: -37.878
where: short stacking energy: -37.878
Base-Backbone interact. energy: -0.115
local terms energy: -53.961163
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -10.154
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: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -82.235490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.235490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.235490 (E_RNA)
where:
Base-Base interactions energy: -23.733
where: short stacking energy: -23.733
Base-Backbone interact. energy: -1.016
local terms energy: -57.486386
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: 1.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -89.186866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.186866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.186866 (E_RNA)
where:
Base-Base interactions energy: -46.813
where: short stacking energy: -26.491
Base-Backbone interact. energy: -0.453
local terms energy: -41.921157
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -8.533
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -78.825341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.825341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.825341 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -21.474
Base-Backbone interact. energy: -0.308
local terms energy: -44.800299
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -222.785218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.785218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.785218 (E_RNA)
where:
Base-Base interactions energy: -148.491
where: short stacking energy: -65.838
Base-Backbone interact. energy: -0.710
local terms energy: -73.584058
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -225.385331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.385331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.385331 (E_RNA)
where:
Base-Base interactions energy: -147.651
where: short stacking energy: -69.485
Base-Backbone interact. energy: -2.129
local terms energy: -75.605186
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -20.574
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: 81
Temperature: 1.000000
Total energy: -223.984064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.984064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.984064 (E_RNA)
where:
Base-Base interactions energy: -145.917
where: short stacking energy: -71.403
Base-Backbone interact. energy: -0.000
local terms energy: -78.066631
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -221.092591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.092591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092591 (E_RNA)
where:
Base-Base interactions energy: -140.998
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.154
local terms energy: -79.939932
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -209.319519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.319519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.319519 (E_RNA)
where:
Base-Base interactions energy: -138.298
where: short stacking energy: -64.268
Base-Backbone interact. energy: -0.052
local terms energy: -70.969813
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -11.595
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: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -193.524648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.524648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.524648 (E_RNA)
where:
Base-Base interactions energy: -128.621
where: short stacking energy: -58.034
Base-Backbone interact. energy: -1.456
local terms energy: -63.447184
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -101.957153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.957153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.957153 (E_RNA)
where:
Base-Base interactions energy: -57.249
where: short stacking energy: -37.658
Base-Backbone interact. energy: -0.096
local terms energy: -44.612793
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -90.621377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.621377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.621377 (E_RNA)
where:
Base-Base interactions energy: -42.617
where: short stacking energy: -25.019
Base-Backbone interact. energy: 0.333
local terms energy: -48.337249
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -84.164290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164290 (E_RNA)
where:
Base-Base interactions energy: -27.843
where: short stacking energy: -27.675
Base-Backbone interact. energy: 0.934
local terms energy: -57.255480
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.534
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: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -90.641808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.641808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.641808 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -22.164
Base-Backbone interact. energy: -0.112
local terms energy: -53.984190
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.634
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: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -233.171585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.171585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.171585 (E_RNA)
where:
Base-Base interactions energy: -148.911
where: short stacking energy: -78.577
Base-Backbone interact. energy: -1.805
local terms energy: -82.455850
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -229.053743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.053743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.053743 (E_RNA)
where:
Base-Base interactions energy: -150.387
where: short stacking energy: -70.419
Base-Backbone interact. energy: 0.002
local terms energy: -78.668776
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -218.307118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.307118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.307118 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.002
local terms energy: -72.204090
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -211.398620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.398620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.398620 (E_RNA)
where:
Base-Base interactions energy: -138.842
where: short stacking energy: -69.492
Base-Backbone interact. energy: -1.339
local terms energy: -71.217120
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -19.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -220.381047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.381047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.381047 (E_RNA)
where:
Base-Base interactions energy: -149.118
where: short stacking energy: -68.994
Base-Backbone interact. energy: -0.032
local terms energy: -71.231025
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -198.242824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.242824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.242824 (E_RNA)
where:
Base-Base interactions energy: -127.570
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.013
local terms energy: -70.659624
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -131.192317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.192317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.192317 (E_RNA)
where:
Base-Base interactions energy: -81.490
where: short stacking energy: -42.522
Base-Backbone interact. energy: -0.519
local terms energy: -49.183311
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -5.493
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -95.652297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652297 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -33.757
Base-Backbone interact. energy: -1.109
local terms energy: -60.787265
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -84.257641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.257641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.257641 (E_RNA)
where:
Base-Base interactions energy: -30.993
where: short stacking energy: -30.993
Base-Backbone interact. energy: -0.325
local terms energy: -52.939363
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -81.984056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.984056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.984056 (E_RNA)
where:
Base-Base interactions energy: -31.288
where: short stacking energy: -24.357
Base-Backbone interact. energy: -0.665
local terms energy: -50.031431
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -6.244
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: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -234.794878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.794878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.794878 (E_RNA)
where:
Base-Base interactions energy: -151.802
where: short stacking energy: -76.706
Base-Backbone interact. energy: -0.920
local terms energy: -82.072991
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -230.108510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.108510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.108510 (E_RNA)
where:
Base-Base interactions energy: -154.073
where: short stacking energy: -69.080
Base-Backbone interact. energy: -1.342
local terms energy: -74.693620
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -224.188804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.188804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.188804 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.002
local terms energy: -76.879805
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -11.242
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: 83
Temperature: 1.050000
Total energy: -226.723222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.723222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.723222 (E_RNA)
where:
Base-Base interactions energy: -158.685
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.212
local terms energy: -67.826522
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -202.546682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.546682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.546682 (E_RNA)
where:
Base-Base interactions energy: -137.584
where: short stacking energy: -66.530
Base-Backbone interact. energy: -0.027
local terms energy: -64.935861
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -179.724443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.724443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.724443 (E_RNA)
where:
Base-Base interactions energy: -116.452
where: short stacking energy: -52.253
Base-Backbone interact. energy: 0.845
local terms energy: -64.117716
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -14.330
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -96.145319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.145319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.145319 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -38.172
Base-Backbone interact. energy: -0.029
local terms energy: -57.944316
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -10.888
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -82.061399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.061399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.061399 (E_RNA)
where:
Base-Base interactions energy: -29.210
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.625
local terms energy: -52.226218
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -84.710362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.710362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.710362 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.064
local terms energy: -47.021974
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -7.418
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: 3
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -80.839321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839321 (E_RNA)
where:
Base-Base interactions energy: -36.979
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.397
local terms energy: -43.463613
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -233.073594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.073594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.073594 (E_RNA)
where:
Base-Base interactions energy: -151.779
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.006
local terms energy: -81.288714
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -235.484235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.484235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.484235 (E_RNA)
where:
Base-Base interactions energy: -160.323
where: short stacking energy: -73.366
Base-Backbone interact. energy: -0.591
local terms energy: -74.570392
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -220.734864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.734864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.734864 (E_RNA)
where:
Base-Base interactions energy: -148.383
where: short stacking energy: -68.128
Base-Backbone interact. energy: 0.355
local terms energy: -72.706788
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -228.051102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.051102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.051102 (E_RNA)
where:
Base-Base interactions energy: -153.375
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.003
local terms energy: -74.672987
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -20.239
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: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -202.470973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.470973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.470973 (E_RNA)
where:
Base-Base interactions energy: -132.286
where: short stacking energy: -63.169
Base-Backbone interact. energy: 1.060
local terms energy: -71.245001
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -182.950343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.950343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.950343 (E_RNA)
where:
Base-Base interactions energy: -122.874
where: short stacking energy: -53.967
Base-Backbone interact. energy: -1.509
local terms energy: -58.567082
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -8.178
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -11.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -96.185557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.185557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.185557 (E_RNA)
where:
Base-Base interactions energy: -36.028
where: short stacking energy: -36.028
Base-Backbone interact. energy: -0.168
local terms energy: -59.989775
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -89.468925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.468925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.468925 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -26.186
Base-Backbone interact. energy: -0.007
local terms energy: -57.295284
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -85.656105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.656105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.656105 (E_RNA)
where:
Base-Base interactions energy: -32.160
where: short stacking energy: -32.160
Base-Backbone interact. energy: -0.021
local terms energy: -53.475253
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -94.916274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.916274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.916274 (E_RNA)
where:
Base-Base interactions energy: -55.521
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.238
local terms energy: -39.157322
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -7.154
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: 1, replica: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -230.706229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.706229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.706229 (E_RNA)
where:
Base-Base interactions energy: -155.444
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.578
local terms energy: -74.684386
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -231.244179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.244179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.244179 (E_RNA)
where:
Base-Base interactions energy: -149.923
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.474
local terms energy: -80.847112
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -224.319435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.319435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.319435 (E_RNA)
where:
Base-Base interactions energy: -151.819
where: short stacking energy: -64.916
Base-Backbone interact. energy: 0.659
local terms energy: -73.158866
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -206.556495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.556495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.556495 (E_RNA)
where:
Base-Base interactions energy: -129.940
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.747
local terms energy: -75.869208
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -219.823722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.823722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.823722 (E_RNA)
where:
Base-Base interactions energy: -150.823
where: short stacking energy: -72.628
Base-Backbone interact. energy: -0.245
local terms energy: -68.755808
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -1.745
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -190.202486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.202486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.202486 (E_RNA)
where:
Base-Base interactions energy: -126.569
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.105
local terms energy: -63.529255
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -91.772374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.772374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.772374 (E_RNA)
where:
Base-Base interactions energy: -33.259
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.224
local terms energy: -58.288642
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -9.103
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: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -91.995789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.995789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.995789 (E_RNA)
where:
Base-Base interactions energy: -35.068
where: short stacking energy: -29.084
Base-Backbone interact. energy: -0.144
local terms energy: -56.784005
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -2.657
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: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -80.455115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.455115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.455115 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -25.614
Base-Backbone interact. energy: -0.350
local terms energy: -46.736487
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -5.980
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: 10, replica: 3
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -79.908689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.908689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.908689 (E_RNA)
where:
Base-Base interactions energy: -35.213
where: short stacking energy: -34.718
Base-Backbone interact. energy: -0.389
local terms energy: -44.305894
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -6.989
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -229.330959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.330959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.330959 (E_RNA)
where:
Base-Base interactions energy: -148.525
where: short stacking energy: -63.359
Base-Backbone interact. energy: -0.424
local terms energy: -80.382216
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -222.210046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210046 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.686
local terms energy: -76.770900
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -219.039125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.039125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.039125 (E_RNA)
where:
Base-Base interactions energy: -150.806
where: short stacking energy: -73.516
Base-Backbone interact. energy: -0.033
local terms energy: -68.199429
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -216.397474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.397474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.397474 (E_RNA)
where:
Base-Base interactions energy: -147.936
where: short stacking energy: -70.828
Base-Backbone interact. energy: -0.949
local terms energy: -67.513179
where:
bonds (distance) C4'-P energy: -4.329
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -199.235913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.235913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.235913 (E_RNA)
where:
Base-Base interactions energy: -136.964
where: short stacking energy: -67.864
Base-Backbone interact. energy: -0.003
local terms energy: -62.268750
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -205.411958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.411958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.411958 (E_RNA)
where:
Base-Base interactions energy: -137.168
where: short stacking energy: -58.396
Base-Backbone interact. energy: 0.257
local terms energy: -68.500637
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -105.317144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.317144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.317144 (E_RNA)
where:
Base-Base interactions energy: -46.658
where: short stacking energy: -43.719
Base-Backbone interact. energy: -0.013
local terms energy: -58.645697
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -93.106710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.106710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.106710 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -41.259
Base-Backbone interact. energy: -0.099
local terms energy: -51.749149
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -7.829
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -86.472702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.472702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.472702 (E_RNA)
where:
Base-Base interactions energy: -48.663
where: short stacking energy: -25.975
Base-Backbone interact. energy: -0.120
local terms energy: -37.690199
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: 0.180
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -84.296841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.296841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.296841 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -31.212
Base-Backbone interact. energy: -0.023
local terms energy: -48.066701
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -230.557165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.557165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.557165 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -66.940
Base-Backbone interact. energy: -0.168
local terms energy: -75.706024
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -227.417631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.417631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.417631 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -66.413
Base-Backbone interact. energy: -0.055
local terms energy: -80.529539
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -19.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -227.614004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.614004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.614004 (E_RNA)
where:
Base-Base interactions energy: -144.970
where: short stacking energy: -71.066
Base-Backbone interact. energy: -0.111
local terms energy: -82.532303
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -219.286059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.286059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.286059 (E_RNA)
where:
Base-Base interactions energy: -137.800
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.491
local terms energy: -80.995385
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -22.861
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: 87
Temperature: 1.100000
Total energy: -223.429789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.429789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.429789 (E_RNA)
where:
Base-Base interactions energy: -149.314
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.000
local terms energy: -74.115641
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -216.134032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.134032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.134032 (E_RNA)
where:
Base-Base interactions energy: -149.268
where: short stacking energy: -70.568
Base-Backbone interact. energy: 1.885
local terms energy: -68.751374
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -18.069
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: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -85.372383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.372383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.372383 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -30.105
Base-Backbone interact. energy: 0.142
local terms energy: -45.226695
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -7.358
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: 8, replica: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -91.841716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.841716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.841716 (E_RNA)
where:
Base-Base interactions energy: -40.509
where: short stacking energy: -40.509
Base-Backbone interact. energy: -0.028
local terms energy: -51.305106
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -7.623
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: 87
Temperature: 1.300000
Total energy: -72.196707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.196707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.196707 (E_RNA)
where:
Base-Base interactions energy: -21.746
where: short stacking energy: -21.746
Base-Backbone interact. energy: -0.100
local terms energy: -50.350771
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -82.106987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.106987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.106987 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.341
local terms energy: -53.116466
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -223.799177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.799177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.799177 (E_RNA)
where:
Base-Base interactions energy: -150.145
where: short stacking energy: -68.329
Base-Backbone interact. energy: -0.000
local terms energy: -73.653697
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -19.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -224.744412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.744412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.744412 (E_RNA)
where:
Base-Base interactions energy: -151.664
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.948
local terms energy: -72.132598
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -225.285634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.285634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.285634 (E_RNA)
where:
Base-Base interactions energy: -146.316
where: short stacking energy: -70.561
Base-Backbone interact. energy: 1.771
local terms energy: -80.740260
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -21.364
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: 88
Temperature: 1.050000
Total energy: -218.716236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.716236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.716236 (E_RNA)
where:
Base-Base interactions energy: -140.776
where: short stacking energy: -72.198
Base-Backbone interact. energy: -0.912
local terms energy: -77.027505
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -19.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -219.458961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.458961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.458961 (E_RNA)
where:
Base-Base interactions energy: -149.290
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.002
local terms energy: -70.167309
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -210.556040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.556040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.556040 (E_RNA)
where:
Base-Base interactions energy: -143.654
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.157
local terms energy: -66.745181
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -98.105272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.105272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.105272 (E_RNA)
where:
Base-Base interactions energy: -41.519
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.027
local terms energy: -56.559029
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -6.449
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: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -87.381872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.381872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.381872 (E_RNA)
where:
Base-Base interactions energy: -44.869
where: short stacking energy: -31.201
Base-Backbone interact. energy: -0.835
local terms energy: -41.676935
where:
bonds (distance) C4'-P energy: -6.965
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -5.207
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: 9, replica: 3
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -83.088855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.088855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.088855 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -22.729
Base-Backbone interact. energy: -0.012
local terms energy: -57.575223
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -78.471017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.471017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.471017 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -25.743
Base-Backbone interact. energy: -0.229
local terms energy: -49.266253
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -6.203
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -226.028262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.028262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.028262 (E_RNA)
where:
Base-Base interactions energy: -144.980
where: short stacking energy: -70.767
Base-Backbone interact. energy: -0.729
local terms energy: -80.319314
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -233.501227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.501227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.501227 (E_RNA)
where:
Base-Base interactions energy: -157.994
where: short stacking energy: -68.167
Base-Backbone interact. energy: -0.037
local terms energy: -75.470349
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -19.410
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: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -218.083059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.083059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.083059 (E_RNA)
where:
Base-Base interactions energy: -145.024
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.071
local terms energy: -72.988588
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -213.814822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.814822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.814822 (E_RNA)
where:
Base-Base interactions energy: -135.833
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.742
local terms energy: -77.239665
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -201.176431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.176431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.176431 (E_RNA)
where:
Base-Base interactions energy: -129.343
where: short stacking energy: -61.953
Base-Backbone interact. energy: -0.829
local terms energy: -71.004547
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -213.163550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.163550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.163550 (E_RNA)
where:
Base-Base interactions energy: -141.260
where: short stacking energy: -67.047
Base-Backbone interact. energy: 0.685
local terms energy: -72.588723
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -95.832190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.832190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.832190 (E_RNA)
where:
Base-Base interactions energy: -30.310
where: short stacking energy: -27.937
Base-Backbone interact. energy: -0.085
local terms energy: -65.437825
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -13.313
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: 8, replica: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -95.593932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.593932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.593932 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -37.887
Base-Backbone interact. energy: -0.135
local terms energy: -57.771699
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -96.587852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.587852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.587852 (E_RNA)
where:
Base-Base interactions energy: -43.486
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.210
local terms energy: -52.891613
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -85.429674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.429674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.429674 (E_RNA)
where:
Base-Base interactions energy: -39.206
where: short stacking energy: -23.083
Base-Backbone interact. energy: 1.178
local terms energy: -47.401535
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -242.733674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.733674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.733674 (E_RNA)
where:
Base-Base interactions energy: -164.263
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.218
local terms energy: -78.252994
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -21.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -227.480257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.480257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.480257 (E_RNA)
where:
Base-Base interactions energy: -149.199
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.033
local terms energy: -78.247711
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -20.138
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: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -220.795350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.795350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.795350 (E_RNA)
where:
Base-Base interactions energy: -143.935
where: short stacking energy: -65.271
Base-Backbone interact. energy: -0.790
local terms energy: -76.070831
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -217.221262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.221262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.221262 (E_RNA)
where:
Base-Base interactions energy: -142.403
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.557
local terms energy: -74.261609
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -216.588528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.588528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.588528 (E_RNA)
where:
Base-Base interactions energy: -136.913
where: short stacking energy: -67.170
Base-Backbone interact. energy: -0.747
local terms energy: -78.928456
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -22.564
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: 90
Temperature: 1.150000
Total energy: -173.745995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.745995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.745995 (E_RNA)
where:
Base-Base interactions energy: -116.103
where: short stacking energy: -49.521
Base-Backbone interact. energy: -0.501
local terms energy: -57.142246
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -10.667
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: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -89.526738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.526738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.526738 (E_RNA)
where:
Base-Base interactions energy: -33.539
where: short stacking energy: -33.539
Base-Backbone interact. energy: -0.050
local terms energy: -55.937727
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -10.851
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: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -97.608784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.608784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.608784 (E_RNA)
where:
Base-Base interactions energy: -37.419
where: short stacking energy: -23.906
Base-Backbone interact. energy: -0.074
local terms energy: -60.116360
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -79.460297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.460297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.460297 (E_RNA)
where:
Base-Base interactions energy: -35.895
where: short stacking energy: -33.377
Base-Backbone interact. energy: -0.187
local terms energy: -43.378921
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: 0.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -77.969589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.969589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.969589 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -30.293
Base-Backbone interact. energy: 2.345
local terms energy: -47.240689
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -3.161
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: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -238.481099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.481099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.481099 (E_RNA)
where:
Base-Base interactions energy: -158.639
where: short stacking energy: -81.400
Base-Backbone interact. energy: -0.726
local terms energy: -79.115697
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -226.128825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.128825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.128825 (E_RNA)
where:
Base-Base interactions energy: -146.924
where: short stacking energy: -72.800
Base-Backbone interact. energy: -0.709
local terms energy: -78.496358
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -13.397
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: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -219.729511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.729511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.729511 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -69.663
Base-Backbone interact. energy: -0.012
local terms energy: -70.948760
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -206.549900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.549900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.549900 (E_RNA)
where:
Base-Base interactions energy: -136.525
where: short stacking energy: -60.963
Base-Backbone interact. energy: 0.107
local terms energy: -70.132571
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -15.630
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: 91
Temperature: 1.100000
Total energy: -206.895759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.895759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.895759 (E_RNA)
where:
Base-Base interactions energy: -141.775
where: short stacking energy: -65.313
Base-Backbone interact. energy: -0.026
local terms energy: -65.093864
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -13.014
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: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -177.168995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.168995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.168995 (E_RNA)
where:
Base-Base interactions energy: -110.656
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.069
local terms energy: -66.444717
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -97.912338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.912338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.912338 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -33.671
Base-Backbone interact. energy: 2.283
local terms energy: -55.097874
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -89.606359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.606359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.606359 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -36.074
Base-Backbone interact. energy: -0.101
local terms energy: -53.431528
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -89.698468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698468 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.044
local terms energy: -49.565949
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -10.205
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -5.730
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: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -94.926499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.926499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.926499 (E_RNA)
where:
Base-Base interactions energy: -50.976
where: short stacking energy: -28.417
Base-Backbone interact. energy: -0.177
local terms energy: -43.773627
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -6.082
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -229.191213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.191213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.191213 (E_RNA)
where:
Base-Base interactions energy: -152.272
where: short stacking energy: -74.464
Base-Backbone interact. energy: -1.113
local terms energy: -75.806958
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -232.346433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.346433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.346433 (E_RNA)
where:
Base-Base interactions energy: -157.033
where: short stacking energy: -76.022
Base-Backbone interact. energy: -0.048
local terms energy: -75.265345
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -226.368957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.368957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.368957 (E_RNA)
where:
Base-Base interactions energy: -154.638
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.527
local terms energy: -71.204469
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -220.508038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.508038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.508038 (E_RNA)
where:
Base-Base interactions energy: -146.148
where: short stacking energy: -69.108
Base-Backbone interact. energy: -0.443
local terms energy: -73.917108
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -182.651983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.651983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.651983 (E_RNA)
where:
Base-Base interactions energy: -120.520
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.264
local terms energy: -61.867550
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -8.143
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: 6, replica: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -209.284313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.284313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.284313 (E_RNA)
where:
Base-Base interactions energy: -132.322
where: short stacking energy: -64.072
Base-Backbone interact. energy: -0.795
local terms energy: -76.166797
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -95.044719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.044719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.044719 (E_RNA)
where:
Base-Base interactions energy: -43.620
where: short stacking energy: -35.198
Base-Backbone interact. energy: -0.285
local terms energy: -51.140139
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -91.719440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.719440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.719440 (E_RNA)
where:
Base-Base interactions energy: -35.937
where: short stacking energy: -34.853
Base-Backbone interact. energy: 1.019
local terms energy: -56.800705
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -8.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -91.352651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.352651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.352651 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -31.662
Base-Backbone interact. energy: -0.130
local terms energy: -51.501514
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -77.179082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.179082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.179082 (E_RNA)
where:
Base-Base interactions energy: -32.877
where: short stacking energy: -26.021
Base-Backbone interact. energy: -0.229
local terms energy: -44.072346
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -229.529931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.529931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.529931 (E_RNA)
where:
Base-Base interactions energy: -147.558
where: short stacking energy: -72.237
Base-Backbone interact. energy: -1.599
local terms energy: -80.373435
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -229.055826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.055826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.055826 (E_RNA)
where:
Base-Base interactions energy: -159.653
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.078
local terms energy: -69.324748
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -224.895047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.895047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.895047 (E_RNA)
where:
Base-Base interactions energy: -143.999
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.000
local terms energy: -80.895297
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -231.828531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.828531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.828531 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -69.871
Base-Backbone interact. energy: -1.323
local terms energy: -84.118813
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -185.496621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.496621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.496621 (E_RNA)
where:
Base-Base interactions energy: -118.707
where: short stacking energy: -56.376
Base-Backbone interact. energy: 0.196
local terms energy: -66.985691
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -206.026115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.026115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.026115 (E_RNA)
where:
Base-Base interactions energy: -139.417
where: short stacking energy: -58.871
Base-Backbone interact. energy: -0.014
local terms energy: -66.594867
where:
bonds (distance) C4'-P energy: -7.743
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -88.150552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.150552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.150552 (E_RNA)
where:
Base-Base interactions energy: -36.686
where: short stacking energy: -27.955
Base-Backbone interact. energy: -0.114
local terms energy: -51.349948
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: 0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -104.231592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.231592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.231592 (E_RNA)
where:
Base-Base interactions energy: -45.086
where: short stacking energy: -44.685
Base-Backbone interact. energy: 0.146
local terms energy: -59.291790
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -90.499545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.499545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.499545 (E_RNA)
where:
Base-Base interactions energy: -45.482
where: short stacking energy: -31.225
Base-Backbone interact. energy: -0.620
local terms energy: -44.396969
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -82.517431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.517431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.517431 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -22.445
Base-Backbone interact. energy: -0.310
local terms energy: -44.270763
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -7.674
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: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -227.416586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.416586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.416586 (E_RNA)
where:
Base-Base interactions energy: -153.422
where: short stacking energy: -71.053
Base-Backbone interact. energy: -1.027
local terms energy: -72.968131
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -20.891
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: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -221.627609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.627609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.627609 (E_RNA)
where:
Base-Base interactions energy: -146.093
where: short stacking energy: -71.491
Base-Backbone interact. energy: -0.002
local terms energy: -75.532524
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -218.284793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.284793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.284793 (E_RNA)
where:
Base-Base interactions energy: -141.549
where: short stacking energy: -63.398
Base-Backbone interact. energy: -0.037
local terms energy: -76.698863
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -226.346827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.346827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.346827 (E_RNA)
where:
Base-Base interactions energy: -154.647
where: short stacking energy: -71.971
Base-Backbone interact. energy: -0.338
local terms energy: -71.360996
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -212.069821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.069821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.069821 (E_RNA)
where:
Base-Base interactions energy: -143.989
where: short stacking energy: -67.950
Base-Backbone interact. energy: -1.842
local terms energy: -66.238659
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -20.853
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: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -177.468925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.468925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.468925 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -50.522
Base-Backbone interact. energy: 2.270
local terms energy: -68.634499
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -14.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -93.263737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.263737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.263737 (E_RNA)
where:
Base-Base interactions energy: -35.210
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.056
local terms energy: -57.998092
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -83.454136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.454136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.454136 (E_RNA)
where:
Base-Base interactions energy: -34.679
where: short stacking energy: -34.679
Base-Backbone interact. energy: 1.622
local terms energy: -50.397088
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -84.024120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.024120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.024120 (E_RNA)
where:
Base-Base interactions energy: -39.435
where: short stacking energy: -39.312
Base-Backbone interact. energy: -0.058
local terms energy: -44.531745
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -101.397674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.397674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.397674 (E_RNA)
where:
Base-Base interactions energy: -46.426
where: short stacking energy: -24.215
Base-Backbone interact. energy: -0.101
local terms energy: -54.870675
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -224.970601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.970601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.970601 (E_RNA)
where:
Base-Base interactions energy: -149.003
where: short stacking energy: -69.836
Base-Backbone interact. energy: -0.002
local terms energy: -75.965753
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -21.536
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: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -222.383468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.383468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.383468 (E_RNA)
where:
Base-Base interactions energy: -148.620
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.165
local terms energy: -73.598208
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -205.698758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.698758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.698758 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.037
local terms energy: -67.869526
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -219.953961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.953961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.953961 (E_RNA)
where:
Base-Base interactions energy: -147.485
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.246
local terms energy: -72.223088
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -217.624585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.624585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.624585 (E_RNA)
where:
Base-Base interactions energy: -140.362
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.084
local terms energy: -77.179196
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -17.745
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: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -181.274225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.274225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.274225 (E_RNA)
where:
Base-Base interactions energy: -112.946
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.518
local terms energy: -67.810159
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -15.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -104.204963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.204963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.204963 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -39.715
Base-Backbone interact. energy: -0.671
local terms energy: -54.104474
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -7.707
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: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -90.131533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.131533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.131533 (E_RNA)
where:
Base-Base interactions energy: -41.369
where: short stacking energy: -23.645
Base-Backbone interact. energy: -0.260
local terms energy: -48.502797
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -10.068
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -97.376147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.376147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.376147 (E_RNA)
where:
Base-Base interactions energy: -46.986
where: short stacking energy: -32.032
Base-Backbone interact. energy: -0.837
local terms energy: -49.553337
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -86.375776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.375776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.375776 (E_RNA)
where:
Base-Base interactions energy: -39.995
where: short stacking energy: -39.995
Base-Backbone interact. energy: -0.003
local terms energy: -46.377135
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -4.590
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: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -235.246673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.246673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.246673 (E_RNA)
where:
Base-Base interactions energy: -152.105
where: short stacking energy: -75.591
Base-Backbone interact. energy: -1.188
local terms energy: -81.954081
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -23.693
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: 96
Temperature: 0.950000
Total energy: -232.515980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.515980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.515980 (E_RNA)
where:
Base-Base interactions energy: -151.738
where: short stacking energy: -76.887
Base-Backbone interact. energy: -0.003
local terms energy: -80.774968
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -22.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -218.136641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.136641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.136641 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -67.000
Base-Backbone interact. energy: -0.491
local terms energy: -73.842863
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -204.651167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.651167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.651167 (E_RNA)
where:
Base-Base interactions energy: -135.694
where: short stacking energy: -58.279
Base-Backbone interact. energy: 1.595
local terms energy: -70.552678
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -11.758
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: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -209.851398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.851398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.851398 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.006
local terms energy: -63.332209
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -163.439657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.439657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.439657 (E_RNA)
where:
Base-Base interactions energy: -104.227
where: short stacking energy: -48.291
Base-Backbone interact. energy: -0.115
local terms energy: -59.097761
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -10.548
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: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -135.063485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.063485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.063485 (E_RNA)
where:
Base-Base interactions energy: -83.685
where: short stacking energy: -38.303
Base-Backbone interact. energy: -0.203
local terms energy: -51.175158
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -82.905570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.905570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.905570 (E_RNA)
where:
Base-Base interactions energy: -29.319
where: short stacking energy: -29.319
Base-Backbone interact. energy: -0.115
local terms energy: -53.471649
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -85.081383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.081383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.081383 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -36.834
Base-Backbone interact. energy: -1.075
local terms energy: -47.172449
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -2.877
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: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -82.839405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.839405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.839405 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -38.015
Base-Backbone interact. energy: 0.326
local terms energy: -45.150505
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -1.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -228.358571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.358571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.358571 (E_RNA)
where:
Base-Base interactions energy: -149.899
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.045
local terms energy: -78.414732
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -10.872
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: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -233.474524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.474524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.474524 (E_RNA)
where:
Base-Base interactions energy: -153.950
where: short stacking energy: -74.870
Base-Backbone interact. energy: -0.009
local terms energy: -79.515767
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -20.992
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: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -224.403845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.403845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.403845 (E_RNA)
where:
Base-Base interactions energy: -155.347
where: short stacking energy: -71.052
Base-Backbone interact. energy: -0.157
local terms energy: -68.900687
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -11.151
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: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -219.924916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.924916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.924916 (E_RNA)
where:
Base-Base interactions energy: -146.935
where: short stacking energy: -67.734
Base-Backbone interact. energy: -0.000
local terms energy: -72.989139
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -19.800
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: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -204.547008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.547008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.547008 (E_RNA)
where:
Base-Base interactions energy: -133.292
where: short stacking energy: -60.422
Base-Backbone interact. energy: -0.043
local terms energy: -71.211877
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -132.731918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.731918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.731918 (E_RNA)
where:
Base-Base interactions energy: -67.651
where: short stacking energy: -39.567
Base-Backbone interact. energy: -0.024
local terms energy: -65.056501
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -12.316
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: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -222.348938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.348938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.348938 (E_RNA)
where:
Base-Base interactions energy: -142.657
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.794
local terms energy: -78.897739
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -21.408
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: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -102.659116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.659116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.659116 (E_RNA)
where:
Base-Base interactions energy: -38.827
where: short stacking energy: -28.294
Base-Backbone interact. energy: -0.646
local terms energy: -63.185587
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -10.263
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: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -81.487088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.487088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.487088 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -32.491
Base-Backbone interact. energy: 0.758
local terms energy: -47.828121
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -4.993
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: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -81.518276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.518276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.518276 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.104
local terms energy: -56.264143
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -227.656242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.656242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.656242 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.451
local terms energy: -78.561628
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -234.646357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.646357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.646357 (E_RNA)
where:
Base-Base interactions energy: -159.720
where: short stacking energy: -72.149
Base-Backbone interact. energy: -0.043
local terms energy: -74.883178
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -21.096
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: 6
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -209.390193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.390193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.390193 (E_RNA)
where:
Base-Base interactions energy: -143.445
where: short stacking energy: -63.928
Base-Backbone interact. energy: 0.556
local terms energy: -66.501027
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -19.957
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: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -212.245936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.245936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.245936 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -61.106
Base-Backbone interact. energy: -0.245
local terms energy: -70.124652
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -208.160009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.160009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.160009 (E_RNA)
where:
Base-Base interactions energy: -141.533
where: short stacking energy: -63.551
Base-Backbone interact. energy: -0.076
local terms energy: -66.551046
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -162.205848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.205848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.205848 (E_RNA)
where:
Base-Base interactions energy: -92.339
where: short stacking energy: -49.270
Base-Backbone interact. energy: -0.009
local terms energy: -69.858044
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -194.348322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.348322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348322 (E_RNA)
where:
Base-Base interactions energy: -124.933
where: short stacking energy: -55.347
Base-Backbone interact. energy: -0.156
local terms energy: -69.259981
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -18.101
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: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -89.831540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.831540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.831540 (E_RNA)
where:
Base-Base interactions energy: -42.863
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.231
local terms energy: -46.737411
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -9.336
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -0.550
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: 98
Temperature: 1.300000
Total energy: -85.743612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.743612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.743612 (E_RNA)
where:
Base-Base interactions energy: -29.219
where: short stacking energy: -25.331
Base-Backbone interact. energy: 0.864
local terms energy: -57.388894
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -70.680426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.680426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.680426 (E_RNA)
where:
Base-Base interactions energy: -16.152
where: short stacking energy: -14.965
Base-Backbone interact. energy: -0.037
local terms energy: -54.491428
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -228.794937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.794937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.794937 (E_RNA)
where:
Base-Base interactions energy: -151.486
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.178
local terms energy: -77.131120
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -19.939
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: 6
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -229.464274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.464274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.464274 (E_RNA)
where:
Base-Base interactions energy: -152.650
where: short stacking energy: -69.070
Base-Backbone interact. energy: -0.372
local terms energy: -76.442239
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -226.272944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.272944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.272944 (E_RNA)
where:
Base-Base interactions energy: -146.148
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.157
local terms energy: -79.967855
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -208.646992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.646992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.646992 (E_RNA)
where:
Base-Base interactions energy: -139.541
where: short stacking energy: -59.824
Base-Backbone interact. energy: -0.028
local terms energy: -69.078023
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -16.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -207.271672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.271672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.271672 (E_RNA)
where:
Base-Base interactions energy: -133.741
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.967
local terms energy: -72.564283
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -206.872173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.872173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.872173 (E_RNA)
where:
Base-Base interactions energy: -140.836
where: short stacking energy: -68.469
Base-Backbone interact. energy: -1.282
local terms energy: -64.753782
where:
bonds (distance) C4'-P energy: -5.164
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -160.183980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.183980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.183980 (E_RNA)
where:
Base-Base interactions energy: -94.604
where: short stacking energy: -47.385
Base-Backbone interact. energy: -0.244
local terms energy: -65.336744
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -84.927477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.927477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.927477 (E_RNA)
where:
Base-Base interactions energy: -39.975
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.126
local terms energy: -44.826572
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -9.021
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: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -79.975464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.975464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.975464 (E_RNA)
where:
Base-Base interactions energy: -28.112
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.237
local terms energy: -51.626025
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -76.501928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.501928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.501928 (E_RNA)
where:
Base-Base interactions energy: -22.677
where: short stacking energy: -22.677
Base-Backbone interact. energy: -0.255
local terms energy: -53.570447
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -212.617698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.617698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.617698 (E_RNA)
where:
Base-Base interactions energy: -139.554
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.602
local terms energy: -72.461681
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -219.524850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.524850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.524850 (E_RNA)
where:
Base-Base interactions energy: -139.284
where: short stacking energy: -69.515
Base-Backbone interact. energy: -1.074
local terms energy: -79.166632
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -210.212913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212913 (E_RNA)
where:
Base-Base interactions energy: -137.208
where: short stacking energy: -60.778
Base-Backbone interact. energy: -0.112
local terms energy: -72.892857
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -226.217701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.217701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.217701 (E_RNA)
where:
Base-Base interactions energy: -154.559
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.100
local terms energy: -71.559261
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -12.571
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: 100
Temperature: 1.100000
Total energy: -208.872827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.872827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.872827 (E_RNA)
where:
Base-Base interactions energy: -133.913
where: short stacking energy: -64.057
Base-Backbone interact. energy: -0.080
local terms energy: -74.880738
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -206.678513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.678513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.678513 (E_RNA)
where:
Base-Base interactions energy: -144.486
where: short stacking energy: -62.497
Base-Backbone interact. energy: -0.331
local terms energy: -61.861529
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -10.173
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: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -103.434292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.434292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.434292 (E_RNA)
where:
Base-Base interactions energy: -49.721
where: short stacking energy: -40.336
Base-Backbone interact. energy: -0.592
local terms energy: -53.121595
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -144.099594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.099594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.099594 (E_RNA)
where:
Base-Base interactions energy: -81.154
where: short stacking energy: -43.548
Base-Backbone interact. energy: -0.191
local terms energy: -62.754558
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -5.050
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: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -92.715450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715450 (E_RNA)
where:
Base-Base interactions energy: -36.368
where: short stacking energy: -36.368
Base-Backbone interact. energy: -0.213
local terms energy: -56.135205
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -5.374
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: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -102.479872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.479872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.479872 (E_RNA)
where:
Base-Base interactions energy: -48.302
where: short stacking energy: -37.153
Base-Backbone interact. energy: 0.060
local terms energy: -54.238543
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -228.692111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.692111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.692111 (E_RNA)
where:
Base-Base interactions energy: -148.049
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.169
local terms energy: -80.474769
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -226.828197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.828197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.828197 (E_RNA)
where:
Base-Base interactions energy: -153.199
where: short stacking energy: -70.265
Base-Backbone interact. energy: 0.548
local terms energy: -74.176950
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -21.323
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: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -229.937498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.937498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.937498 (E_RNA)
where:
Base-Base interactions energy: -145.174
where: short stacking energy: -70.938
Base-Backbone interact. energy: -1.619
local terms energy: -83.145114
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -23.362
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: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -221.966015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.966015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.966015 (E_RNA)
where:
Base-Base interactions energy: -142.652
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.000
local terms energy: -79.313560
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -21.323
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: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -223.837066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.837066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.837066 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -67.084
Base-Backbone interact. energy: 0.431
local terms energy: -74.052141
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -214.458140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.458140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.458140 (E_RNA)
where:
Base-Base interactions energy: -141.581
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.097
local terms energy: -72.780370
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -92.884116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.884116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.884116 (E_RNA)
where:
Base-Base interactions energy: -34.446
where: short stacking energy: -33.880
Base-Backbone interact. energy: -0.142
local terms energy: -58.296312
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -6.256
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: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -91.703163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.703163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.703163 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -32.570
Base-Backbone interact. energy: -0.202
local terms energy: -53.994266
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -138.487702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.487702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.487702 (E_RNA)
where:
Base-Base interactions energy: -83.955
where: short stacking energy: -40.702
Base-Backbone interact. energy: -0.073
local terms energy: -54.458915
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -8.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -80.306774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.306774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.306774 (E_RNA)
where:
Base-Base interactions energy: -33.906
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.207
local terms energy: -46.193570
where:
bonds (distance) C4'-P energy: -5.227
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -233.860987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.860987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.860987 (E_RNA)
where:
Base-Base interactions energy: -153.293
where: short stacking energy: -73.196
Base-Backbone interact. energy: -0.145
local terms energy: -80.423135
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -226.579848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.579848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.579848 (E_RNA)
where:
Base-Base interactions energy: -152.295
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.690
local terms energy: -73.595197
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -222.849463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.849463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.849463 (E_RNA)
where:
Base-Base interactions energy: -147.618
where: short stacking energy: -70.780
Base-Backbone interact. energy: -0.298
local terms energy: -74.933371
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -11.024
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: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -218.325838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.325838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.325838 (E_RNA)
where:
Base-Base interactions energy: -141.479
where: short stacking energy: -68.168
Base-Backbone interact. energy: -0.802
local terms energy: -76.044822
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -21.229
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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -209.468894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.468894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.468894 (E_RNA)
where:
Base-Base interactions energy: -145.903
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.223
local terms energy: -63.342166
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -178.421377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.421377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.421377 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.758
local terms energy: -70.240613
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -91.852565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.852565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.852565 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -40.199
Base-Backbone interact. energy: -0.007
local terms energy: -47.869545
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -7.274
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -6.268
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: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -80.891736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.891736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.891736 (E_RNA)
where:
Base-Base interactions energy: -27.407
where: short stacking energy: -20.730
Base-Backbone interact. energy: 1.444
local terms energy: -54.928746
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.370
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: 9, replica: 5
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -102.502768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.502768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.502768 (E_RNA)
where:
Base-Base interactions energy: -53.516
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.176
local terms energy: -48.810576
where:
bonds (distance) C4'-P energy: -6.282
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -77.509707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.509707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.509707 (E_RNA)
where:
Base-Base interactions energy: -32.880
where: short stacking energy: -18.315
Base-Backbone interact. energy: -0.220
local terms energy: -44.409906
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: 4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -235.067473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.067473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.067473 (E_RNA)
where:
Base-Base interactions energy: -154.660
where: short stacking energy: -79.033
Base-Backbone interact. energy: -0.982
local terms energy: -79.425269
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -228.496745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.496745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.496745 (E_RNA)
where:
Base-Base interactions energy: -150.826
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.001
local terms energy: -77.669593
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -217.851796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.851796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.851796 (E_RNA)
where:
Base-Base interactions energy: -146.340
where: short stacking energy: -68.674
Base-Backbone interact. energy: -0.002
local terms energy: -71.509050
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -224.112276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.112276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.112276 (E_RNA)
where:
Base-Base interactions energy: -149.635
where: short stacking energy: -75.885
Base-Backbone interact. energy: -0.011
local terms energy: -74.465911
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -7.859
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -213.175333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.175333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.175333 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.557
local terms energy: -69.196219
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.097
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: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -213.795919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.795919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.795919 (E_RNA)
where:
Base-Base interactions energy: -141.763
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.026
local terms energy: -72.007252
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -95.134613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.134613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.134613 (E_RNA)
where:
Base-Base interactions energy: -44.243
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.202
local terms energy: -50.690262
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -0.851
tors. eta vs tors. theta energy: -9.778
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: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -90.788023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788023 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -35.592
Base-Backbone interact. energy: 0.030
local terms energy: -55.225597
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -86.781490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.781490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.781490 (E_RNA)
where:
Base-Base interactions energy: -39.640
where: short stacking energy: -36.312
Base-Backbone interact. energy: -0.809
local terms energy: -46.332158
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -86.833097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.833097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.833097 (E_RNA)
where:
Base-Base interactions energy: -38.172
where: short stacking energy: -33.170
Base-Backbone interact. energy: 0.633
local terms energy: -49.293650
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -230.283842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.283842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.283842 (E_RNA)
where:
Base-Base interactions energy: -152.137
where: short stacking energy: -74.775
Base-Backbone interact. energy: -0.823
local terms energy: -77.324231
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -228.043664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.043664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.043664 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.300
local terms energy: -81.077772
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -219.427459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.427459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.427459 (E_RNA)
where:
Base-Base interactions energy: -140.323
where: short stacking energy: -68.056
Base-Backbone interact. energy: -0.001
local terms energy: -79.103953
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -215.292517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.292517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.292517 (E_RNA)
where:
Base-Base interactions energy: -144.453
where: short stacking energy: -60.583
Base-Backbone interact. energy: 0.026
local terms energy: -70.866043
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -18.294
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: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -213.510632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.510632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.510632 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -60.731
Base-Backbone interact. energy: -0.173
local terms energy: -74.883874
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -212.393792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.393792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.393792 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -68.177
Base-Backbone interact. energy: -1.219
local terms energy: -73.255972
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -19.493
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: 7, replica: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -112.606265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.606265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.606265 (E_RNA)
where:
Base-Base interactions energy: -57.438
where: short stacking energy: -44.880
Base-Backbone interact. energy: 2.309
local terms energy: -57.476456
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -10.107
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: 3
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -80.031357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.031357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.031357 (E_RNA)
where:
Base-Base interactions energy: -28.292
where: short stacking energy: -28.292
Base-Backbone interact. energy: 2.434
local terms energy: -54.172722
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -0.730
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: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -76.150526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.150526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.150526 (E_RNA)
where:
Base-Base interactions energy: -37.458
where: short stacking energy: -33.645
Base-Backbone interact. energy: -0.469
local terms energy: -38.222780
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -8.975
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -3.303
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: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -73.387505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.387505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.387505 (E_RNA)
where:
Base-Base interactions energy: -26.509
where: short stacking energy: -26.509
Base-Backbone interact. energy: 0.242
local terms energy: -47.120354
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -226.128881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.128881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.128881 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -76.404
Base-Backbone interact. energy: -1.024
local terms energy: -76.578101
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -223.802407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.802407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.802407 (E_RNA)
where:
Base-Base interactions energy: -148.338
where: short stacking energy: -71.770
Base-Backbone interact. energy: -0.021
local terms energy: -75.443054
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -21.184
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: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -224.109621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.109621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.109621 (E_RNA)
where:
Base-Base interactions energy: -147.197
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.003
local terms energy: -76.908992
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -208.730594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.730594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.730594 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -63.347
Base-Backbone interact. energy: -0.122
local terms energy: -68.303013
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -211.153566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.153566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.153566 (E_RNA)
where:
Base-Base interactions energy: -145.758
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.210
local terms energy: -65.186065
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -9.670
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: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -208.180979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.180979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.180979 (E_RNA)
where:
Base-Base interactions energy: -143.389
where: short stacking energy: -65.414
Base-Backbone interact. energy: 0.106
local terms energy: -64.897911
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -113.963331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.963331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.963331 (E_RNA)
where:
Base-Base interactions energy: -58.827
where: short stacking energy: -32.234
Base-Backbone interact. energy: -0.111
local terms energy: -55.025688
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -77.910471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.910471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.910471 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -20.167
Base-Backbone interact. energy: -0.981
local terms energy: -52.025826
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -3.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -84.808136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.808136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.808136 (E_RNA)
where:
Base-Base interactions energy: -30.158
where: short stacking energy: -30.158
Base-Backbone interact. energy: -0.042
local terms energy: -54.607946
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.275
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: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -81.266639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.266639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.266639 (E_RNA)
where:
Base-Base interactions energy: -33.070
where: short stacking energy: -32.013
Base-Backbone interact. energy: -0.247
local terms energy: -47.950178
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -226.486633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.486633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.486633 (E_RNA)
where:
Base-Base interactions energy: -150.380
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.740
local terms energy: -75.366847
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -19.444
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: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -220.612284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.612284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.612284 (E_RNA)
where:
Base-Base interactions energy: -153.628
where: short stacking energy: -69.437
Base-Backbone interact. energy: -1.275
local terms energy: -65.709368
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -16.762
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: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -222.005009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.005009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.005009 (E_RNA)
where:
Base-Base interactions energy: -151.436
where: short stacking energy: -74.466
Base-Backbone interact. energy: -0.000
local terms energy: -70.568535
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -186.559707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.559707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.559707 (E_RNA)
where:
Base-Base interactions energy: -121.874
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.055
local terms energy: -64.630206
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -211.911120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.911120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.911120 (E_RNA)
where:
Base-Base interactions energy: -139.681
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.256
local terms energy: -71.973776
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -19.350
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: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -203.100493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.100493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.100493 (E_RNA)
where:
Base-Base interactions energy: -132.483
where: short stacking energy: -63.944
Base-Backbone interact. energy: -1.406
local terms energy: -69.211350
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.602
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: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -95.413512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.413512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.413512 (E_RNA)
where:
Base-Base interactions energy: -55.062
where: short stacking energy: -26.149
Base-Backbone interact. energy: -0.606
local terms energy: -39.745276
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -8.342
flat angles P-C4'-P energy: -8.460
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: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -96.897812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.897812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.897812 (E_RNA)
where:
Base-Base interactions energy: -37.433
where: short stacking energy: -33.486
Base-Backbone interact. energy: -0.132
local terms energy: -59.332792
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -78.121010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.121010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.121010 (E_RNA)
where:
Base-Base interactions energy: -32.202
where: short stacking energy: -32.202
Base-Backbone interact. energy: -0.115
local terms energy: -45.804492
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -2.602
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: 3
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -79.496856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.496856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.496856 (E_RNA)
where:
Base-Base interactions energy: -32.550
where: short stacking energy: -26.418
Base-Backbone interact. energy: -0.102
local terms energy: -46.844961
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -6.978
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: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -225.684831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.684831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.684831 (E_RNA)
where:
Base-Base interactions energy: -150.677
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.458
local terms energy: -74.550021
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -16.767
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: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -230.339261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.339261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.339261 (E_RNA)
where:
Base-Base interactions energy: -148.583
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.642
local terms energy: -81.114269
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -23.093
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: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -222.526980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.526980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.526980 (E_RNA)
where:
Base-Base interactions energy: -148.824
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.826
local terms energy: -72.877190
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -221.459527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.459527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.459527 (E_RNA)
where:
Base-Base interactions energy: -147.111
where: short stacking energy: -73.816
Base-Backbone interact. energy: -0.163
local terms energy: -74.185093
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -9.856
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -208.926926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.926926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.926926 (E_RNA)
where:
Base-Base interactions energy: -143.791
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.042
local terms energy: -65.093170
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -12.814
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -209.168186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.168186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.168186 (E_RNA)
where:
Base-Base interactions energy: -136.659
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.790
local terms energy: -71.718468
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -109.187228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.187228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.187228 (E_RNA)
where:
Base-Base interactions energy: -51.461
where: short stacking energy: -24.336
Base-Backbone interact. energy: 0.191
local terms energy: -57.917300
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -91.553249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.553249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.553249 (E_RNA)
where:
Base-Base interactions energy: -33.510
where: short stacking energy: -31.566
Base-Backbone interact. energy: -0.189
local terms energy: -57.854275
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -82.167718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.167718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.167718 (E_RNA)
where:
Base-Base interactions energy: -34.294
where: short stacking energy: -27.269
Base-Backbone interact. energy: -1.107
local terms energy: -46.767478
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -81.857366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.857366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.857366 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -25.162
Base-Backbone interact. energy: -0.067
local terms energy: -54.901504
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -9.115
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -229.687892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.687892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.687892 (E_RNA)
where:
Base-Base interactions energy: -147.897
where: short stacking energy: -72.476
Base-Backbone interact. energy: -0.024
local terms energy: -81.766909
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -22.869
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: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -230.811323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.811323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.811323 (E_RNA)
where:
Base-Base interactions energy: -155.148
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.012
local terms energy: -75.651822
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -23.234
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: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -219.446841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.446841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.446841 (E_RNA)
where:
Base-Base interactions energy: -141.708
where: short stacking energy: -68.926
Base-Backbone interact. energy: -1.887
local terms energy: -75.851563
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -19.791
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: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -202.311632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.311632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.311632 (E_RNA)
where:
Base-Base interactions energy: -137.562
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.151
local terms energy: -64.598853
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -212.531905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.531905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.531905 (E_RNA)
where:
Base-Base interactions energy: -140.077
where: short stacking energy: -60.747
Base-Backbone interact. energy: -1.226
local terms energy: -71.228833
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -199.290255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.290255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.290255 (E_RNA)
where:
Base-Base interactions energy: -134.564
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.001
local terms energy: -64.725354
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -89.439951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.439951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.439951 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -31.691
Base-Backbone interact. energy: -0.008
local terms energy: -48.275222
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -109.529526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.529526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.529526 (E_RNA)
where:
Base-Base interactions energy: -50.386
where: short stacking energy: -33.729
Base-Backbone interact. energy: 4.245
local terms energy: -63.388997
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -10.336
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: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -84.006778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.006778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.006778 (E_RNA)
where:
Base-Base interactions energy: -37.268
where: short stacking energy: -34.726
Base-Backbone interact. energy: -0.012
local terms energy: -46.726987
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -93.538697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.538697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.538697 (E_RNA)
where:
Base-Base interactions energy: -46.466
where: short stacking energy: -20.001
Base-Backbone interact. energy: -0.098
local terms energy: -46.975153
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -228.053995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.053995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.053995 (E_RNA)
where:
Base-Base interactions energy: -152.944
where: short stacking energy: -66.149
Base-Backbone interact. energy: -0.065
local terms energy: -75.044560
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -236.960727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.960727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.960727 (E_RNA)
where:
Base-Base interactions energy: -153.270
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.214
local terms energy: -83.476837
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -211.894368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.894368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.894368 (E_RNA)
where:
Base-Base interactions energy: -135.838
where: short stacking energy: -63.479
Base-Backbone interact. energy: -0.491
local terms energy: -75.565924
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -12.994
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: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -213.670365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.670365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.670365 (E_RNA)
where:
Base-Base interactions energy: -141.805
where: short stacking energy: -65.668
Base-Backbone interact. energy: 1.601
local terms energy: -73.465861
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -12.430
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: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -210.978001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.978001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978001 (E_RNA)
where:
Base-Base interactions energy: -137.850
where: short stacking energy: -61.086
Base-Backbone interact. energy: -0.194
local terms energy: -72.934493
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -15.102
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -180.829848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.829848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.829848 (E_RNA)
where:
Base-Base interactions energy: -115.544
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.446
local terms energy: -64.839233
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -101.613395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.613395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.613395 (E_RNA)
where:
Base-Base interactions energy: -49.058
where: short stacking energy: -21.032
Base-Backbone interact. energy: -0.271
local terms energy: -52.284461
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -103.159164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.159164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.159164 (E_RNA)
where:
Base-Base interactions energy: -51.321
where: short stacking energy: -42.417
Base-Backbone interact. energy: -0.031
local terms energy: -51.807180
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.266281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266281 (E_RNA)
where:
Base-Base interactions energy: -30.834
where: short stacking energy: -30.650
Base-Backbone interact. energy: -0.054
local terms energy: -54.377581
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -93.476360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.476360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.476360 (E_RNA)
where:
Base-Base interactions energy: -45.058
where: short stacking energy: -28.296
Base-Backbone interact. energy: -0.069
local terms energy: -48.349499
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -8.186
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: 1, replica: 9
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -240.494913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.494913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.494913 (E_RNA)
where:
Base-Base interactions energy: -164.132
where: short stacking energy: -74.677
Base-Backbone interact. energy: -0.003
local terms energy: -76.359387
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -22.478
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -234.766210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.766210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.766210 (E_RNA)
where:
Base-Base interactions energy: -159.846
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.122
local terms energy: -74.797877
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -218.227040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.227040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.227040 (E_RNA)
where:
Base-Base interactions energy: -145.358
where: short stacking energy: -65.056
Base-Backbone interact. energy: -0.135
local terms energy: -72.734605
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -10.008
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: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -213.406165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.406165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.406165 (E_RNA)
where:
Base-Base interactions energy: -143.196
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.008
local terms energy: -70.202047
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -17.118
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: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -211.619675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.619675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.619675 (E_RNA)
where:
Base-Base interactions energy: -145.629
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.100
local terms energy: -65.891462
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.016
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: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -189.275912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.275912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.275912 (E_RNA)
where:
Base-Base interactions energy: -123.097
where: short stacking energy: -53.602
Base-Backbone interact. energy: -0.184
local terms energy: -65.995886
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -87.668177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.668177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.668177 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -25.889
Base-Backbone interact. energy: -0.312
local terms energy: -49.508517
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.302
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: 110
Temperature: 1.250000
Total energy: -108.621808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.621808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.621808 (E_RNA)
where:
Base-Base interactions energy: -44.112
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.145
local terms energy: -64.364910
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -11.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -94.410464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.410464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.410464 (E_RNA)
where:
Base-Base interactions energy: -49.011
where: short stacking energy: -44.041
Base-Backbone interact. energy: -0.188
local terms energy: -45.211209
where:
bonds (distance) C4'-P energy: -5.902
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -83.908261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908261 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -20.481
Base-Backbone interact. energy: 0.364
local terms energy: -41.066226
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -230.724615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.724615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.724615 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -69.770
Base-Backbone interact. energy: -0.009
local terms energy: -81.303968
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -22.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -229.162358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.162358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.162358 (E_RNA)
where:
Base-Base interactions energy: -149.266
where: short stacking energy: -72.170
Base-Backbone interact. energy: -0.495
local terms energy: -79.402133
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -227.267655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.267655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.267655 (E_RNA)
where:
Base-Base interactions energy: -146.859
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.471
local terms energy: -79.937712
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -211.265313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.265313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.265313 (E_RNA)
where:
Base-Base interactions energy: -139.516
where: short stacking energy: -59.536
Base-Backbone interact. energy: -0.057
local terms energy: -71.692784
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -212.462374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.462374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.462374 (E_RNA)
where:
Base-Base interactions energy: -136.122
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.000
local terms energy: -76.340316
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -216.583709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.583709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.583709 (E_RNA)
where:
Base-Base interactions energy: -148.131
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.662
local terms energy: -67.790885
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -6.924
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: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -90.526241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.526241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.526241 (E_RNA)
where:
Base-Base interactions energy: -43.546
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.087
local terms energy: -46.893584
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -95.089517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.089517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.089517 (E_RNA)
where:
Base-Base interactions energy: -46.720
where: short stacking energy: -25.293
Base-Backbone interact. energy: 0.086
local terms energy: -48.455506
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -6.903
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: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -103.513158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.513158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.513158 (E_RNA)
where:
Base-Base interactions energy: -55.301
where: short stacking energy: -42.576
Base-Backbone interact. energy: 1.433
local terms energy: -49.645426
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -9.339
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -76.952313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.952313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.952313 (E_RNA)
where:
Base-Base interactions energy: -33.123
where: short stacking energy: -23.888
Base-Backbone interact. energy: -0.044
local terms energy: -43.785297
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -1.600
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -231.850807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.850807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.850807 (E_RNA)
where:
Base-Base interactions energy: -156.797
where: short stacking energy: -76.509
Base-Backbone interact. energy: -0.552
local terms energy: -74.501799
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -19.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -235.472692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.472692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.472692 (E_RNA)
where:
Base-Base interactions energy: -162.551
where: short stacking energy: -74.297
Base-Backbone interact. energy: -0.187
local terms energy: -72.734615
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -227.969905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.969905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.969905 (E_RNA)
where:
Base-Base interactions energy: -148.804
where: short stacking energy: -72.470
Base-Backbone interact. energy: -2.089
local terms energy: -77.076692
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -215.797862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.797862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.797862 (E_RNA)
where:
Base-Base interactions energy: -139.578
where: short stacking energy: -66.302
Base-Backbone interact. energy: -1.808
local terms energy: -74.412266
where:
bonds (distance) C4'-P energy: -8.633
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -14.574
tors. eta vs tors. theta energy: -20.475
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: 112
Temperature: 1.100000
Total energy: -211.147592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.147592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.147592 (E_RNA)
where:
Base-Base interactions energy: -145.562
where: short stacking energy: -63.379
Base-Backbone interact. energy: -0.049
local terms energy: -65.536740
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -210.883632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.883632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.883632 (E_RNA)
where:
Base-Base interactions energy: -135.520
where: short stacking energy: -59.064
Base-Backbone interact. energy: -0.249
local terms energy: -75.114478
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -91.204410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.204410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.204410 (E_RNA)
where:
Base-Base interactions energy: -37.466
where: short stacking energy: -35.362
Base-Backbone interact. energy: 0.101
local terms energy: -53.839291
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -89.331733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.331733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.331733 (E_RNA)
where:
Base-Base interactions energy: -33.914
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.589
local terms energy: -54.828874
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -80.841884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841884 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -20.514
Base-Backbone interact. energy: 0.211
local terms energy: -43.004726
where:
bonds (distance) C4'-P energy: -8.887
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -79.396092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.396092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.396092 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -36.923
Base-Backbone interact. energy: 4.611
local terms energy: -45.470441
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -7.053
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -231.765498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.765498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.765498 (E_RNA)
where:
Base-Base interactions energy: -149.258
where: short stacking energy: -72.589
Base-Backbone interact. energy: -0.010
local terms energy: -82.497148
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -234.770201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.770201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.770201 (E_RNA)
where:
Base-Base interactions energy: -156.208
where: short stacking energy: -78.260
Base-Backbone interact. energy: -0.276
local terms energy: -78.286207
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -221.765805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.765805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.765805 (E_RNA)
where:
Base-Base interactions energy: -142.866
where: short stacking energy: -65.449
Base-Backbone interact. energy: -0.608
local terms energy: -78.291295
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -211.195326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.195326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.195326 (E_RNA)
where:
Base-Base interactions energy: -139.932
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.087
local terms energy: -71.176280
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -20.677
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: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -207.277217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.277217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.277217 (E_RNA)
where:
Base-Base interactions energy: -130.076
where: short stacking energy: -62.205
Base-Backbone interact. energy: -0.005
local terms energy: -77.196005
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -18.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -218.507644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.507644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.507644 (E_RNA)
where:
Base-Base interactions energy: -149.988
where: short stacking energy: -73.556
Base-Backbone interact. energy: -0.912
local terms energy: -67.607746
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -91.840480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.840480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.840480 (E_RNA)
where:
Base-Base interactions energy: -40.722
where: short stacking energy: -40.722
Base-Backbone interact. energy: -0.271
local terms energy: -50.847800
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -82.491266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.491266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.491266 (E_RNA)
where:
Base-Base interactions energy: -36.843
where: short stacking energy: -37.143
Base-Backbone interact. energy: -0.038
local terms energy: -45.610695
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -81.820824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.820824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.820824 (E_RNA)
where:
Base-Base interactions energy: -43.240
where: short stacking energy: -24.427
Base-Backbone interact. energy: 1.681
local terms energy: -40.261092
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: 2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -91.134945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.134945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.134945 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -23.417
Base-Backbone interact. energy: -0.263
local terms energy: -45.730865
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -235.403620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.403620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.403620 (E_RNA)
where:
Base-Base interactions energy: -154.851
where: short stacking energy: -74.418
Base-Backbone interact. energy: -0.852
local terms energy: -79.700403
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -234.213447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.213447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.213447 (E_RNA)
where:
Base-Base interactions energy: -151.991
where: short stacking energy: -76.702
Base-Backbone interact. energy: -2.011
local terms energy: -80.211218
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -217.748300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748300 (E_RNA)
where:
Base-Base interactions energy: -140.053
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.936
local terms energy: -76.759590
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -219.806083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.806083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.806083 (E_RNA)
where:
Base-Base interactions energy: -144.700
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.018
local terms energy: -75.087427
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -201.049964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049964 (E_RNA)
where:
Base-Base interactions energy: -132.946
where: short stacking energy: -60.184
Base-Backbone interact. energy: -1.344
local terms energy: -66.759749
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -173.761912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.761912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.761912 (E_RNA)
where:
Base-Base interactions energy: -107.371
where: short stacking energy: -47.896
Base-Backbone interact. energy: -0.104
local terms energy: -66.287163
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -81.895765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.895765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.895765 (E_RNA)
where:
Base-Base interactions energy: -38.482
where: short stacking energy: -20.534
Base-Backbone interact. energy: -0.389
local terms energy: -43.024057
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: 4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -95.639115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.639115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.639115 (E_RNA)
where:
Base-Base interactions energy: -38.135
where: short stacking energy: -37.837
Base-Backbone interact. energy: -0.895
local terms energy: -56.609647
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.030
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: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -81.295626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.295626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.295626 (E_RNA)
where:
Base-Base interactions energy: -44.898
where: short stacking energy: -26.414
Base-Backbone interact. energy: 1.457
local terms energy: -37.854500
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: 2.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -78.927799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.927799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.927799 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -30.551
Base-Backbone interact. energy: -0.275
local terms energy: -42.498484
where:
bonds (distance) C4'-P energy: -6.610
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -1.860
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: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -236.467518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.467518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.467518 (E_RNA)
where:
Base-Base interactions energy: -162.399
where: short stacking energy: -76.530
Base-Backbone interact. energy: -0.167
local terms energy: -73.901399
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -228.737304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.737304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.737304 (E_RNA)
where:
Base-Base interactions energy: -145.337
where: short stacking energy: -72.808
Base-Backbone interact. energy: -0.911
local terms energy: -82.489594
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -226.868444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.868444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.868444 (E_RNA)
where:
Base-Base interactions energy: -144.927
where: short stacking energy: -71.865
Base-Backbone interact. energy: -0.019
local terms energy: -81.922317
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -24.697
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: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -213.079373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.079373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.079373 (E_RNA)
where:
Base-Base interactions energy: -145.572
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.070
local terms energy: -67.437284
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -161.224467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.224467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.224467 (E_RNA)
where:
Base-Base interactions energy: -98.078
where: short stacking energy: -47.097
Base-Backbone interact. energy: -0.438
local terms energy: -62.708881
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -3.311
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -169.517968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.517968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.517968 (E_RNA)
where:
Base-Base interactions energy: -108.979
where: short stacking energy: -49.431
Base-Backbone interact. energy: 0.352
local terms energy: -60.890229
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -90.132824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.132824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.132824 (E_RNA)
where:
Base-Base interactions energy: -36.431
where: short stacking energy: -36.431
Base-Backbone interact. energy: -1.077
local terms energy: -52.625300
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -82.047224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.047224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.047224 (E_RNA)
where:
Base-Base interactions energy: -31.360
where: short stacking energy: -19.645
Base-Backbone interact. energy: -1.225
local terms energy: -49.462381
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -81.557762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.557762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.557762 (E_RNA)
where:
Base-Base interactions energy: -39.356
where: short stacking energy: -29.968
Base-Backbone interact. energy: 0.736
local terms energy: -42.938106
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -82.430730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.430730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.430730 (E_RNA)
where:
Base-Base interactions energy: -38.469
where: short stacking energy: -29.704
Base-Backbone interact. energy: -0.111
local terms energy: -43.850229
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -6.345
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -5.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -230.708127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.708127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.708127 (E_RNA)
where:
Base-Base interactions energy: -152.584
where: short stacking energy: -71.869
Base-Backbone interact. energy: -0.060
local terms energy: -78.064464
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.426
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: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -230.428783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.428783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.428783 (E_RNA)
where:
Base-Base interactions energy: -149.543
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.128
local terms energy: -80.757181
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -229.184504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.184504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.184504 (E_RNA)
where:
Base-Base interactions energy: -153.796
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.063
local terms energy: -75.326116
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -224.800834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.800834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.800834 (E_RNA)
where:
Base-Base interactions energy: -147.845
where: short stacking energy: -74.547
Base-Backbone interact. energy: -0.599
local terms energy: -76.356541
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -184.113777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.113777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.113777 (E_RNA)
where:
Base-Base interactions energy: -112.205
where: short stacking energy: -55.560
Base-Backbone interact. energy: -0.059
local terms energy: -71.849605
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -167.739642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.739642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.739642 (E_RNA)
where:
Base-Base interactions energy: -107.285
where: short stacking energy: -44.806
Base-Backbone interact. energy: -0.329
local terms energy: -60.125448
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -87.658388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.658388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.658388 (E_RNA)
where:
Base-Base interactions energy: -34.648
where: short stacking energy: -23.951
Base-Backbone interact. energy: 0.133
local terms energy: -53.144065
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -88.083511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.083511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.083511 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -26.619
Base-Backbone interact. energy: -1.524
local terms energy: -55.636285
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -9.115
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -87.864721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.864721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.864721 (E_RNA)
where:
Base-Base interactions energy: -41.030
where: short stacking energy: -26.610
Base-Backbone interact. energy: -0.422
local terms energy: -46.413087
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -75.144428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.144428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.144428 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -19.665
Base-Backbone interact. energy: -0.181
local terms energy: -40.396909
where:
bonds (distance) C4'-P energy: -7.716
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -10.196
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: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -236.951257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.951257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.951257 (E_RNA)
where:
Base-Base interactions energy: -155.244
where: short stacking energy: -78.539
Base-Backbone interact. energy: -0.687
local terms energy: -81.020736
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -8.752
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: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -230.868743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.868743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.868743 (E_RNA)
where:
Base-Base interactions energy: -151.377
where: short stacking energy: -71.420
Base-Backbone interact. energy: -1.225
local terms energy: -78.267432
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -219.800665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.800665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800665 (E_RNA)
where:
Base-Base interactions energy: -141.741
where: short stacking energy: -63.093
Base-Backbone interact. energy: -0.079
local terms energy: -77.981284
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -220.975106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.975106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.975106 (E_RNA)
where:
Base-Base interactions energy: -151.462
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.007
local terms energy: -69.506630
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -219.639883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.639883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.639883 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -60.253
Base-Backbone interact. energy: -0.220
local terms energy: -78.391149
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.800
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: 6, replica: 2
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -194.797884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.797884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.797884 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.328
local terms energy: -66.794333
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -8.922
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: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -115.469598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.469598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.469598 (E_RNA)
where:
Base-Base interactions energy: -68.246
where: short stacking energy: -42.291
Base-Backbone interact. energy: -0.051
local terms energy: -47.172518
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: 1.479
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: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -94.761484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.761484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.761484 (E_RNA)
where:
Base-Base interactions energy: -47.602
where: short stacking energy: -21.306
Base-Backbone interact. energy: -0.157
local terms energy: -47.002983
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: 1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -90.028280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.028280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.028280 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -26.093
Base-Backbone interact. energy: -0.684
local terms energy: -45.646965
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -7.636
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: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -83.002153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.002153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.002153 (E_RNA)
where:
Base-Base interactions energy: -36.312
where: short stacking energy: -30.521
Base-Backbone interact. energy: -0.048
local terms energy: -46.642291
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -230.163814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.163814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.163814 (E_RNA)
where:
Base-Base interactions energy: -149.805
where: short stacking energy: -71.704
Base-Backbone interact. energy: -0.342
local terms energy: -80.016065
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -231.946492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.946492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.946492 (E_RNA)
where:
Base-Base interactions energy: -157.366
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.099
local terms energy: -74.481529
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -227.993544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.993544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.993544 (E_RNA)
where:
Base-Base interactions energy: -149.645
where: short stacking energy: -70.887
Base-Backbone interact. energy: -0.003
local terms energy: -78.345412
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -23.161
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: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -213.186187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.186187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.186187 (E_RNA)
where:
Base-Base interactions energy: -142.126
where: short stacking energy: -62.146
Base-Backbone interact. energy: -0.368
local terms energy: -70.693028
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -17.775
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: -218.405006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.405006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.405006 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -68.444
Base-Backbone interact. energy: -0.315
local terms energy: -72.691929
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -10.622
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: 6, replica: 2
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -205.340913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340913 (E_RNA)
where:
Base-Base interactions energy: -132.375
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.580
local terms energy: -72.386113
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -117.642132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.642132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.642132 (E_RNA)
where:
Base-Base interactions energy: -59.420
where: short stacking energy: -31.277
Base-Backbone interact. energy: -0.193
local terms energy: -58.029445
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -128.031340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.031340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.031340 (E_RNA)
where:
Base-Base interactions energy: -74.372
where: short stacking energy: -34.624
Base-Backbone interact. energy: -0.632
local terms energy: -53.026691
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -89.208808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.208808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.208808 (E_RNA)
where:
Base-Base interactions energy: -36.455
where: short stacking energy: -32.382
Base-Backbone interact. energy: -0.455
local terms energy: -52.298780
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -11.486
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: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -74.365424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.365424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.365424 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -22.074
Base-Backbone interact. energy: -0.272
local terms energy: -43.015683
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.959
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: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -225.524929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.524929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.524929 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.949
local terms energy: -77.395000
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -230.465889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.465889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.465889 (E_RNA)
where:
Base-Base interactions energy: -152.358
where: short stacking energy: -76.387
Base-Backbone interact. energy: -0.016
local terms energy: -78.092056
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -221.432583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.432583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.432583 (E_RNA)
where:
Base-Base interactions energy: -149.232
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.121
local terms energy: -72.078937
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -6.556
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: 119
Temperature: 1.050000
Total energy: -220.450835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.450835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.450835 (E_RNA)
where:
Base-Base interactions energy: -142.835
where: short stacking energy: -65.424
Base-Backbone interact. energy: -0.086
local terms energy: -77.529772
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -218.033656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.033656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.033656 (E_RNA)
where:
Base-Base interactions energy: -143.666
where: short stacking energy: -71.988
Base-Backbone interact. energy: -0.847
local terms energy: -73.520155
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -20.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -210.301509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.301509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.301509 (E_RNA)
where:
Base-Base interactions energy: -146.532
where: short stacking energy: -63.781
Base-Backbone interact. energy: -0.398
local terms energy: -63.371445
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -16.925
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: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -114.541213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.541213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.541213 (E_RNA)
where:
Base-Base interactions energy: -59.899
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.022
local terms energy: -54.619853
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -8.438
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -125.905885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.905885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.905885 (E_RNA)
where:
Base-Base interactions energy: -68.955
where: short stacking energy: -40.241
Base-Backbone interact. energy: -0.179
local terms energy: -56.771809
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.201
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -77.790066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.790066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.790066 (E_RNA)
where:
Base-Base interactions energy: -28.723
where: short stacking energy: -26.149
Base-Backbone interact. energy: -0.114
local terms energy: -48.953802
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -92.514601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.514601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.514601 (E_RNA)
where:
Base-Base interactions energy: -44.794
where: short stacking energy: -38.522
Base-Backbone interact. energy: -0.208
local terms energy: -47.512127
where:
bonds (distance) C4'-P energy: -7.015
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -233.461931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.461931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.461931 (E_RNA)
where:
Base-Base interactions energy: -151.788
where: short stacking energy: -68.911
Base-Backbone interact. energy: -0.001
local terms energy: -81.673203
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -22.686
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: 10
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -229.582536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.582536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.582536 (E_RNA)
where:
Base-Base interactions energy: -155.513
where: short stacking energy: -72.086
Base-Backbone interact. energy: -0.327
local terms energy: -73.742802
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -215.920321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.920321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.920321 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.095
local terms energy: -68.881357
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -232.095083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.095083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.095083 (E_RNA)
where:
Base-Base interactions energy: -158.390
where: short stacking energy: -74.594
Base-Backbone interact. energy: -0.001
local terms energy: -73.704470
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -22.368
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: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -221.449328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.449328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.449328 (E_RNA)
where:
Base-Base interactions energy: -149.139
where: short stacking energy: -68.193
Base-Backbone interact. energy: -0.003
local terms energy: -72.307207
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -206.174271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.174271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.174271 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -62.206
Base-Backbone interact. energy: 1.083
local terms energy: -68.217134
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -92.873389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873389 (E_RNA)
where:
Base-Base interactions energy: -34.025
where: short stacking energy: -31.948
Base-Backbone interact. energy: 0.873
local terms energy: -59.720666
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -5.185
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: 120
Temperature: 1.250000
Total energy: -87.973356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.973356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.973356 (E_RNA)
where:
Base-Base interactions energy: -47.228
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.020
local terms energy: -40.725651
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -8.328
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: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -85.865194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.865194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.865194 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -31.370
Base-Backbone interact. energy: -0.004
local terms energy: -45.175227
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -76.332283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.332283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.332283 (E_RNA)
where:
Base-Base interactions energy: -28.906
where: short stacking energy: -10.262
Base-Backbone interact. energy: -0.202
local terms energy: -47.224499
where:
bonds (distance) C4'-P energy: -5.219
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: 1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -235.994923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.994923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.994923 (E_RNA)
where:
Base-Base interactions energy: -154.830
where: short stacking energy: -75.427
Base-Backbone interact. energy: -0.295
local terms energy: -80.870613
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -221.821008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.821008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.821008 (E_RNA)
where:
Base-Base interactions energy: -149.780
where: short stacking energy: -64.388
Base-Backbone interact. energy: 0.442
local terms energy: -72.483100
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -10.604
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: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -213.987267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.987267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.987267 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.112
local terms energy: -68.477335
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -230.545184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.545184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.545184 (E_RNA)
where:
Base-Base interactions energy: -157.301
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.489
local terms energy: -72.754359
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -224.916519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.916519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.916519 (E_RNA)
where:
Base-Base interactions energy: -149.272
where: short stacking energy: -68.789
Base-Backbone interact. energy: -0.004
local terms energy: -75.640081
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -21.439
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: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -203.941367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.941367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.941367 (E_RNA)
where:
Base-Base interactions energy: -135.872
where: short stacking energy: -60.956
Base-Backbone interact. energy: -1.209
local terms energy: -66.860099
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -16.712
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: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -97.997791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.997791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.997791 (E_RNA)
where:
Base-Base interactions energy: -44.254
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.109
local terms energy: -53.635125
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -90.365976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.365976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.365976 (E_RNA)
where:
Base-Base interactions energy: -47.044
where: short stacking energy: -29.387
Base-Backbone interact. energy: 0.146
local terms energy: -43.467333
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -6.940
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: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -86.360174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.360174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.360174 (E_RNA)
where:
Base-Base interactions energy: -33.771
where: short stacking energy: -32.191
Base-Backbone interact. energy: -0.068
local terms energy: -52.521236
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -10.629
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: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -87.865334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.865334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.865334 (E_RNA)
where:
Base-Base interactions energy: -37.773
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.327
local terms energy: -49.764724
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -1.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -237.793660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.793660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.793660 (E_RNA)
where:
Base-Base interactions energy: -162.017
where: short stacking energy: -70.125
Base-Backbone interact. energy: -0.004
local terms energy: -75.772845
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -220.860552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.860552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.860552 (E_RNA)
where:
Base-Base interactions energy: -146.521
where: short stacking energy: -66.219
Base-Backbone interact. energy: -0.096
local terms energy: -74.244261
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -214.126872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.126872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.126872 (E_RNA)
where:
Base-Base interactions energy: -153.203
where: short stacking energy: -62.290
Base-Backbone interact. energy: 0.055
local terms energy: -60.978277
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -218.709144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.709144 (E_RNA)
where:
Base-Base interactions energy: -149.493
where: short stacking energy: -70.662
Base-Backbone interact. energy: -0.000
local terms energy: -69.215917
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -6.890
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -214.894789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.894789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.894789 (E_RNA)
where:
Base-Base interactions energy: -139.185
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.022
local terms energy: -75.688627
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -22.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -216.154567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.154567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.154567 (E_RNA)
where:
Base-Base interactions energy: -145.942
where: short stacking energy: -69.081
Base-Backbone interact. energy: -0.124
local terms energy: -70.089531
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -19.358
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: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -95.652101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652101 (E_RNA)
where:
Base-Base interactions energy: -37.113
where: short stacking energy: -35.929
Base-Backbone interact. energy: -0.101
local terms energy: -58.438929
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -144.012036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.012036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.012036 (E_RNA)
where:
Base-Base interactions energy: -92.557
where: short stacking energy: -41.291
Base-Backbone interact. energy: -0.593
local terms energy: -50.862174
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -115.005422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.005422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.005422 (E_RNA)
where:
Base-Base interactions energy: -69.360
where: short stacking energy: -27.427
Base-Backbone interact. energy: -0.251
local terms energy: -45.393805
where:
bonds (distance) C4'-P energy: -5.507
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -82.548334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548334 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -21.541
Base-Backbone interact. energy: -0.387
local terms energy: -44.117595
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: 3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -236.606903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.606903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.606903 (E_RNA)
where:
Base-Base interactions energy: -151.460
where: short stacking energy: -71.642
Base-Backbone interact. energy: -1.051
local terms energy: -84.096356
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -225.505489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.505489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.505489 (E_RNA)
where:
Base-Base interactions energy: -151.574
where: short stacking energy: -61.148
Base-Backbone interact. energy: -0.208
local terms energy: -73.722791
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -221.721230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.721230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.721230 (E_RNA)
where:
Base-Base interactions energy: -151.553
where: short stacking energy: -69.437
Base-Backbone interact. energy: 2.160
local terms energy: -72.328993
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -10.259
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: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -212.621395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.621395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.621395 (E_RNA)
where:
Base-Base interactions energy: -143.036
where: short stacking energy: -68.542
Base-Backbone interact. energy: -1.281
local terms energy: -68.304355
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -216.245712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.245712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.245712 (E_RNA)
where:
Base-Base interactions energy: -150.691
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.002
local terms energy: -65.552851
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -212.733056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.733056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.733056 (E_RNA)
where:
Base-Base interactions energy: -152.617
where: short stacking energy: -67.974
Base-Backbone interact. energy: -0.402
local terms energy: -59.713818
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -93.427227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.427227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.427227 (E_RNA)
where:
Base-Base interactions energy: -40.574
where: short stacking energy: -36.011
Base-Backbone interact. energy: 1.160
local terms energy: -54.013724
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -3.755
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: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -130.424985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.424985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.424985 (E_RNA)
where:
Base-Base interactions energy: -73.807
where: short stacking energy: -42.321
Base-Backbone interact. energy: -0.765
local terms energy: -55.853755
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -90.652453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652453 (E_RNA)
where:
Base-Base interactions energy: -44.169
where: short stacking energy: -27.069
Base-Backbone interact. energy: 0.521
local terms energy: -47.003739
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -81.126152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.126152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.126152 (E_RNA)
where:
Base-Base interactions energy: -33.300
where: short stacking energy: -14.609
Base-Backbone interact. energy: -0.069
local terms energy: -47.757982
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: 2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -236.389503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.389503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.389503 (E_RNA)
where:
Base-Base interactions energy: -159.104
where: short stacking energy: -73.456
Base-Backbone interact. energy: -0.609
local terms energy: -76.675786
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -23.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -209.147726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.147726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.147726 (E_RNA)
where:
Base-Base interactions energy: -141.203
where: short stacking energy: -55.754
Base-Backbone interact. energy: -0.543
local terms energy: -67.402637
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -14.295
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: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -218.103436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.103436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.103436 (E_RNA)
where:
Base-Base interactions energy: -142.771
where: short stacking energy: -66.205
Base-Backbone interact. energy: -0.683
local terms energy: -74.648939
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -223.111560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.111560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.111560 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -66.211
Base-Backbone interact. energy: -0.063
local terms energy: -81.434119
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -229.569592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.569592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.569592 (E_RNA)
where:
Base-Base interactions energy: -147.322
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.048
local terms energy: -82.199818
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -180.692526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.692526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.692526 (E_RNA)
where:
Base-Base interactions energy: -126.904
where: short stacking energy: -51.409
Base-Backbone interact. energy: 0.600
local terms energy: -54.388412
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -6.307
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -17.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -122.851871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.851871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.851871 (E_RNA)
where:
Base-Base interactions energy: -77.581
where: short stacking energy: -44.153
Base-Backbone interact. energy: -0.091
local terms energy: -45.179748
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -5.432
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -102.070714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.070714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.070714 (E_RNA)
where:
Base-Base interactions energy: -47.335
where: short stacking energy: -47.335
Base-Backbone interact. energy: -0.028
local terms energy: -54.707575
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -1.732
tors. eta vs tors. theta energy: -9.590
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: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -86.970406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.970406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.970406 (E_RNA)
where:
Base-Base interactions energy: -42.368
where: short stacking energy: -21.131
Base-Backbone interact. energy: -0.159
local terms energy: -44.442812
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -75.178348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178348 (E_RNA)
where:
Base-Base interactions energy: -30.750
where: short stacking energy: -29.307
Base-Backbone interact. energy: -0.179
local terms energy: -44.249808
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -240.458977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.458977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.458977 (E_RNA)
where:
Base-Base interactions energy: -160.239
where: short stacking energy: -72.803
Base-Backbone interact. energy: -0.013
local terms energy: -80.206746
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -220.935163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.935163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.935163 (E_RNA)
where:
Base-Base interactions energy: -150.775
where: short stacking energy: -61.850
Base-Backbone interact. energy: -0.795
local terms energy: -69.365609
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -218.123738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.123738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.123738 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -68.298
Base-Backbone interact. energy: -0.076
local terms energy: -70.090874
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -229.808181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.808181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.808181 (E_RNA)
where:
Base-Base interactions energy: -159.586
where: short stacking energy: -76.262
Base-Backbone interact. energy: -0.250
local terms energy: -69.972546
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.991
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: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -204.540515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.540515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.540515 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.951
local terms energy: -68.445382
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -16.496
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: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -175.631833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.631833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.631833 (E_RNA)
where:
Base-Base interactions energy: -111.463
where: short stacking energy: -48.737
Base-Backbone interact. energy: -0.187
local terms energy: -63.981975
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -7.854
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: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -142.586973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.586973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.586973 (E_RNA)
where:
Base-Base interactions energy: -84.636
where: short stacking energy: -38.735
Base-Backbone interact. energy: 0.378
local terms energy: -58.328904
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -8.075
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: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -85.183981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.183981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.183981 (E_RNA)
where:
Base-Base interactions energy: -40.700
where: short stacking energy: -38.320
Base-Backbone interact. energy: 0.335
local terms energy: -44.818915
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -6.066
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: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -87.882196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882196 (E_RNA)
where:
Base-Base interactions energy: -39.210
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.139
local terms energy: -48.532730
where:
bonds (distance) C4'-P energy: -7.491
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -7.573
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: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -81.967629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.967629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.967629 (E_RNA)
where:
Base-Base interactions energy: -43.480
where: short stacking energy: -23.534
Base-Backbone interact. energy: -0.255
local terms energy: -38.232002
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -236.139940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.139940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.139940 (E_RNA)
where:
Base-Base interactions energy: -161.507
where: short stacking energy: -72.968
Base-Backbone interact. energy: -0.043
local terms energy: -74.589313
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -19.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -224.985921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.985921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.985921 (E_RNA)
where:
Base-Base interactions energy: -149.983
where: short stacking energy: -58.101
Base-Backbone interact. energy: -1.007
local terms energy: -73.995982
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -222.880979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.880979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.880979 (E_RNA)
where:
Base-Base interactions energy: -150.966
where: short stacking energy: -71.914
Base-Backbone interact. energy: -0.003
local terms energy: -71.912023
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -220.833331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.833331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.833331 (E_RNA)
where:
Base-Base interactions energy: -147.441
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.384
local terms energy: -73.007946
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -201.888771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.888771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.888771 (E_RNA)
where:
Base-Base interactions energy: -136.840
where: short stacking energy: -63.561
Base-Backbone interact. energy: -1.377
local terms energy: -63.671479
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.422
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: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -205.711106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.711106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.711106 (E_RNA)
where:
Base-Base interactions energy: -137.471
where: short stacking energy: -56.836
Base-Backbone interact. energy: -0.106
local terms energy: -68.134139
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -96.764661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.764661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.764661 (E_RNA)
where:
Base-Base interactions energy: -39.638
where: short stacking energy: -39.638
Base-Backbone interact. energy: -0.612
local terms energy: -56.514560
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -134.480778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.480778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.480778 (E_RNA)
where:
Base-Base interactions energy: -78.473
where: short stacking energy: -39.401
Base-Backbone interact. energy: -0.377
local terms energy: -55.630517
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -119.842112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.842112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.842112 (E_RNA)
where:
Base-Base interactions energy: -65.052
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.611
local terms energy: -54.178692
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -79.498957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.498957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.498957 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -16.728
Base-Backbone interact. energy: -0.931
local terms energy: -44.798196
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -8.935
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -233.784022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.784022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.784022 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -75.859
Base-Backbone interact. energy: -0.003
local terms energy: -72.937258
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -232.252208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.252208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.252208 (E_RNA)
where:
Base-Base interactions energy: -157.345
where: short stacking energy: -77.858
Base-Backbone interact. energy: -0.045
local terms energy: -74.861877
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -214.502948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.502948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.502948 (E_RNA)
where:
Base-Base interactions energy: -145.478
where: short stacking energy: -53.121
Base-Backbone interact. energy: -0.475
local terms energy: -68.550186
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -215.671242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.671242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.671242 (E_RNA)
where:
Base-Base interactions energy: -145.522
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.724
local terms energy: -69.425517
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -206.508784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.508784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.508784 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -58.388
Base-Backbone interact. energy: -0.257
local terms energy: -67.895889
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -211.598062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.598062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.598062 (E_RNA)
where:
Base-Base interactions energy: -137.799
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.007
local terms energy: -73.792125
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -91.892227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.892227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.892227 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -37.322
Base-Backbone interact. energy: -0.110
local terms energy: -54.460165
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -6.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -127.016024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.016024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.016024 (E_RNA)
where:
Base-Base interactions energy: -72.535
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.033
local terms energy: -54.448362
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -99.292870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.292870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.292870 (E_RNA)
where:
Base-Base interactions energy: -52.682
where: short stacking energy: -19.103
Base-Backbone interact. energy: -1.282
local terms energy: -45.328699
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -4.727
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: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -74.890678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.890678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.890678 (E_RNA)
where:
Base-Base interactions energy: -32.619
where: short stacking energy: -30.898
Base-Backbone interact. energy: -0.099
local terms energy: -42.172751
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -7.535
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: 3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -238.224844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.224844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.224844 (E_RNA)
where:
Base-Base interactions energy: -156.036
where: short stacking energy: -70.148
Base-Backbone interact. energy: -0.146
local terms energy: -82.042913
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -230.678789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.678789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.678789 (E_RNA)
where:
Base-Base interactions energy: -151.014
where: short stacking energy: -68.250
Base-Backbone interact. energy: 0.688
local terms energy: -80.352576
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -11.552
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: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -220.544639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.544639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.544639 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -64.852
Base-Backbone interact. energy: -0.054
local terms energy: -76.688999
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -19.727
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: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -215.962175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.962175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.962175 (E_RNA)
where:
Base-Base interactions energy: -141.967
where: short stacking energy: -54.834
Base-Backbone interact. energy: -1.278
local terms energy: -72.716934
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -215.493336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.493336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.493336 (E_RNA)
where:
Base-Base interactions energy: -142.020
where: short stacking energy: -63.279
Base-Backbone interact. energy: -1.093
local terms energy: -72.381092
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -178.160598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.160598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.160598 (E_RNA)
where:
Base-Base interactions energy: -115.173
where: short stacking energy: -50.011
Base-Backbone interact. energy: -0.743
local terms energy: -62.245261
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -140.235178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.235178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.235178 (E_RNA)
where:
Base-Base interactions energy: -88.723
where: short stacking energy: -38.771
Base-Backbone interact. energy: 0.102
local terms energy: -51.615031
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -3.935
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: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -88.797978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.797978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.797978 (E_RNA)
where:
Base-Base interactions energy: -40.997
where: short stacking energy: -40.997
Base-Backbone interact. energy: -0.116
local terms energy: -47.684881
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: 2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -92.724877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.724877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.724877 (E_RNA)
where:
Base-Base interactions energy: -47.555
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.119
local terms energy: -45.051297
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -2.697
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -77.703368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.703368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.703368 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -23.387
Base-Backbone interact. energy: 0.060
local terms energy: -51.812453
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -231.019019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.019019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.019019 (E_RNA)
where:
Base-Base interactions energy: -146.723
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.003
local terms energy: -84.292468
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -12.257
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -229.397830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.397830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.397830 (E_RNA)
where:
Base-Base interactions energy: -152.798
where: short stacking energy: -74.594
Base-Backbone interact. energy: -1.225
local terms energy: -75.375562
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -20.623
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: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -230.338087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.338087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.338087 (E_RNA)
where:
Base-Base interactions energy: -152.518
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.322
local terms energy: -77.498629
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -212.487176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.487176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.487176 (E_RNA)
where:
Base-Base interactions energy: -145.557
where: short stacking energy: -61.565
Base-Backbone interact. energy: 0.818
local terms energy: -67.747925
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -204.059101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.059101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.059101 (E_RNA)
where:
Base-Base interactions energy: -135.057
where: short stacking energy: -57.166
Base-Backbone interact. energy: 2.237
local terms energy: -71.239422
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.494
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: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -157.027454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.027454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.027454 (E_RNA)
where:
Base-Base interactions energy: -94.413
where: short stacking energy: -55.182
Base-Backbone interact. energy: -0.023
local terms energy: -62.591945
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -188.069688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.069688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.069688 (E_RNA)
where:
Base-Base interactions energy: -126.251
where: short stacking energy: -54.682
Base-Backbone interact. energy: -0.113
local terms energy: -61.705305
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -107.743757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.743757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.743757 (E_RNA)
where:
Base-Base interactions energy: -56.741
where: short stacking energy: -23.075
Base-Backbone interact. energy: 1.410
local terms energy: -52.413139
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.602
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: 129
Temperature: 1.300000
Total energy: -88.560367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.560367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.560367 (E_RNA)
where:
Base-Base interactions energy: -32.740
where: short stacking energy: -30.070
Base-Backbone interact. energy: -0.114
local terms energy: -55.706373
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -79.446874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.446874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.446874 (E_RNA)
where:
Base-Base interactions energy: -31.302
where: short stacking energy: -28.564
Base-Backbone interact. energy: -0.125
local terms energy: -48.019632
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -230.962146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.962146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.962146 (E_RNA)
where:
Base-Base interactions energy: -154.191
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.465
local terms energy: -76.306123
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -19.838
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: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -228.068181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.068181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.068181 (E_RNA)
where:
Base-Base interactions energy: -149.499
where: short stacking energy: -65.535
Base-Backbone interact. energy: -0.788
local terms energy: -77.780935
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -220.387486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.387486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.387486 (E_RNA)
where:
Base-Base interactions energy: -148.670
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.107
local terms energy: -71.610321
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -225.996161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.996161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.996161 (E_RNA)
where:
Base-Base interactions energy: -149.965
where: short stacking energy: -72.014
Base-Backbone interact. energy: -0.088
local terms energy: -75.942951
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -12.917
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: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -205.052416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.052416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.052416 (E_RNA)
where:
Base-Base interactions energy: -139.827
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.038
local terms energy: -65.187546
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -165.202929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.202929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.202929 (E_RNA)
where:
Base-Base interactions energy: -106.018
where: short stacking energy: -57.010
Base-Backbone interact. energy: -0.249
local terms energy: -58.936149
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -189.153780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.153780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.153780 (E_RNA)
where:
Base-Base interactions energy: -129.523
where: short stacking energy: -53.789
Base-Backbone interact. energy: 0.024
local terms energy: -59.654803
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -13.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -145.401831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.401831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.401831 (E_RNA)
where:
Base-Base interactions energy: -88.314
where: short stacking energy: -38.353
Base-Backbone interact. energy: -0.050
local terms energy: -57.037593
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -97.049024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.049024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.049024 (E_RNA)
where:
Base-Base interactions energy: -38.237
where: short stacking energy: -38.237
Base-Backbone interact. energy: 0.038
local terms energy: -58.849463
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -8.921
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: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -77.766974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.766974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.766974 (E_RNA)
where:
Base-Base interactions energy: -27.262
where: short stacking energy: -26.153
Base-Backbone interact. energy: 0.230
local terms energy: -50.734471
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.512
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: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -219.315049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.315049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.315049 (E_RNA)
where:
Base-Base interactions energy: -138.418
where: short stacking energy: -63.963
Base-Backbone interact. energy: -0.103
local terms energy: -80.794676
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -211.728421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.728421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.728421 (E_RNA)
where:
Base-Base interactions energy: -141.064
where: short stacking energy: -69.349
Base-Backbone interact. energy: -1.217
local terms energy: -69.447421
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -224.614484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.614484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.614484 (E_RNA)
where:
Base-Base interactions energy: -147.301
where: short stacking energy: -66.123
Base-Backbone interact. energy: -0.014
local terms energy: -77.299822
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -219.327434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.327434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.327434 (E_RNA)
where:
Base-Base interactions energy: -147.019
where: short stacking energy: -70.145
Base-Backbone interact. energy: -0.005
local terms energy: -72.302817
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -211.406049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.406049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.406049 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.319
local terms energy: -64.530933
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -19.043
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: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -203.777123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.777123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.777123 (E_RNA)
where:
Base-Base interactions energy: -134.468
where: short stacking energy: -60.699
Base-Backbone interact. energy: -0.002
local terms energy: -69.307196
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -18.564
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: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -170.562691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.562691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.562691 (E_RNA)
where:
Base-Base interactions energy: -109.008
where: short stacking energy: -54.220
Base-Backbone interact. energy: 0.387
local terms energy: -61.941801
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.761
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: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -152.881727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.881727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.881727 (E_RNA)
where:
Base-Base interactions energy: -100.416
where: short stacking energy: -44.987
Base-Backbone interact. energy: 0.008
local terms energy: -52.474145
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -71.736803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.736803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.736803 (E_RNA)
where:
Base-Base interactions energy: -23.437
where: short stacking energy: -20.691
Base-Backbone interact. energy: -0.251
local terms energy: -48.048535
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -4.695
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -79.089899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.089899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.089899 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -32.983
Base-Backbone interact. energy: 0.774
local terms energy: -46.880408
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -232.382697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.382697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.382697 (E_RNA)
where:
Base-Base interactions energy: -154.662
where: short stacking energy: -72.129
Base-Backbone interact. energy: -0.631
local terms energy: -77.089400
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -19.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -220.644401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.644401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.644401 (E_RNA)
where:
Base-Base interactions energy: -142.049
where: short stacking energy: -59.101
Base-Backbone interact. energy: 0.331
local terms energy: -78.926465
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -11.788
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: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -216.184766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.184766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.184766 (E_RNA)
where:
Base-Base interactions energy: -141.004
where: short stacking energy: -66.300
Base-Backbone interact. energy: -0.063
local terms energy: -75.116913
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -211.833532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.833532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.833532 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -62.403
Base-Backbone interact. energy: -0.152
local terms energy: -70.465932
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -213.615405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.615405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.615405 (E_RNA)
where:
Base-Base interactions energy: -141.653
where: short stacking energy: -61.957
Base-Backbone interact. energy: -0.012
local terms energy: -71.949671
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -220.044739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.044739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.044739 (E_RNA)
where:
Base-Base interactions energy: -145.222
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.495
local terms energy: -74.327156
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -174.968392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.968392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.968392 (E_RNA)
where:
Base-Base interactions energy: -109.130
where: short stacking energy: -46.590
Base-Backbone interact. energy: -0.094
local terms energy: -65.744287
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -163.212674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.212674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.212674 (E_RNA)
where:
Base-Base interactions energy: -94.811
where: short stacking energy: -55.106
Base-Backbone interact. energy: -0.131
local terms energy: -68.270222
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -16.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -87.949245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.949245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.949245 (E_RNA)
where:
Base-Base interactions energy: -36.106
where: short stacking energy: -33.680
Base-Backbone interact. energy: 0.280
local terms energy: -52.123286
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -103.604379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.604379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.604379 (E_RNA)
where:
Base-Base interactions energy: -56.117
where: short stacking energy: -20.783
Base-Backbone interact. energy: -0.902
local terms energy: -46.584915
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: 2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -234.626824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.626824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.626824 (E_RNA)
where:
Base-Base interactions energy: -154.933
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.067
local terms energy: -79.626859
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -231.486196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.486196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.486196 (E_RNA)
where:
Base-Base interactions energy: -154.268
where: short stacking energy: -64.761
Base-Backbone interact. energy: -0.171
local terms energy: -77.047115
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -22.193
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: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -221.832185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.832185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.832185 (E_RNA)
where:
Base-Base interactions energy: -148.014
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.391
local terms energy: -73.427349
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -221.075394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075394 (E_RNA)
where:
Base-Base interactions energy: -148.347
where: short stacking energy: -66.836
Base-Backbone interact. energy: 0.769
local terms energy: -73.497435
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -206.215928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.215928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.215928 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -56.637
Base-Backbone interact. energy: -0.045
local terms energy: -66.338268
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -16.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -212.324306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.324306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.324306 (E_RNA)
where:
Base-Base interactions energy: -135.326
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.096
local terms energy: -76.901926
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.688
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: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -155.256968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.256968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.256968 (E_RNA)
where:
Base-Base interactions energy: -91.623
where: short stacking energy: -39.540
Base-Backbone interact. energy: -0.027
local terms energy: -63.606983
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -7.738
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: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.841339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.841339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.841339 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -15.923
Base-Backbone interact. energy: -0.046
local terms energy: -59.765085
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: 0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -129.951234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.951234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.951234 (E_RNA)
where:
Base-Base interactions energy: -81.191
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.537
local terms energy: -48.223351
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -2.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -79.537029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.537029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.537029 (E_RNA)
where:
Base-Base interactions energy: -29.117
where: short stacking energy: -25.907
Base-Backbone interact. energy: -0.026
local terms energy: -50.394164
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -5.596
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: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -237.582850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.582850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.582850 (E_RNA)
where:
Base-Base interactions energy: -162.305
where: short stacking energy: -75.408
Base-Backbone interact. energy: -0.385
local terms energy: -74.892563
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -21.219
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: 4
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -230.418941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.418941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.418941 (E_RNA)
where:
Base-Base interactions energy: -151.544
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.094
local terms energy: -78.780983
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -221.694664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.694664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.694664 (E_RNA)
where:
Base-Base interactions energy: -147.441
where: short stacking energy: -70.681
Base-Backbone interact. energy: -0.267
local terms energy: -73.986806
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -8.520
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: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -216.455529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.455529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.455529 (E_RNA)
where:
Base-Base interactions energy: -144.091
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.103
local terms energy: -72.261463
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -229.234972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.234972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.234972 (E_RNA)
where:
Base-Base interactions energy: -153.397
where: short stacking energy: -71.932
Base-Backbone interact. energy: -0.014
local terms energy: -75.824050
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -214.922175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.922175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.922175 (E_RNA)
where:
Base-Base interactions energy: -139.716
where: short stacking energy: -65.215
Base-Backbone interact. energy: -0.191
local terms energy: -75.014896
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -157.223692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.223692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.223692 (E_RNA)
where:
Base-Base interactions energy: -99.588
where: short stacking energy: -51.277
Base-Backbone interact. energy: 0.454
local terms energy: -58.089784
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -3.189
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: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -86.471493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.471493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.471493 (E_RNA)
where:
Base-Base interactions energy: -32.376
where: short stacking energy: -32.323
Base-Backbone interact. energy: -0.074
local terms energy: -54.020711
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -5.684
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: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -125.824996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.824996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.824996 (E_RNA)
where:
Base-Base interactions energy: -70.918
where: short stacking energy: -37.196
Base-Backbone interact. energy: 1.220
local terms energy: -56.126617
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -96.395090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.395090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.395090 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -34.910
Base-Backbone interact. energy: -1.089
local terms energy: -60.396261
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -230.129861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.129861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.129861 (E_RNA)
where:
Base-Base interactions energy: -154.331
where: short stacking energy: -69.101
Base-Backbone interact. energy: -0.000
local terms energy: -75.798205
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -220.981435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.981435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.981435 (E_RNA)
where:
Base-Base interactions energy: -144.256
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.220
local terms energy: -76.505466
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -220.941471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.941471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.941471 (E_RNA)
where:
Base-Base interactions energy: -145.747
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.001
local terms energy: -75.193581
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -224.965793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.965793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.965793 (E_RNA)
where:
Base-Base interactions energy: -156.207
where: short stacking energy: -72.616
Base-Backbone interact. energy: -0.155
local terms energy: -68.604440
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -215.345166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.345166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.345166 (E_RNA)
where:
Base-Base interactions energy: -141.337
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.401
local terms energy: -73.607620
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -225.494065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.494065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.494065 (E_RNA)
where:
Base-Base interactions energy: -151.318
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.004
local terms energy: -74.171692
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -21.091
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: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -154.194427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.194427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.194427 (E_RNA)
where:
Base-Base interactions energy: -90.731
where: short stacking energy: -41.850
Base-Backbone interact. energy: -0.029
local terms energy: -63.434623
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -81.064433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064433 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.060
local terms energy: -50.490594
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -7.622
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -84.240416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240416 (E_RNA)
where:
Base-Base interactions energy: -30.961
where: short stacking energy: -30.608
Base-Backbone interact. energy: -0.026
local terms energy: -53.252666
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -74.713824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.713824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.713824 (E_RNA)
where:
Base-Base interactions energy: -22.312
where: short stacking energy: -22.312
Base-Backbone interact. energy: -0.205
local terms energy: -52.197052
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -237.284159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.284159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.284159 (E_RNA)
where:
Base-Base interactions energy: -156.117
where: short stacking energy: -74.266
Base-Backbone interact. energy: -0.325
local terms energy: -80.842505
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -14.350
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: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -224.450456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.450456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.450456 (E_RNA)
where:
Base-Base interactions energy: -141.903
where: short stacking energy: -67.338
Base-Backbone interact. energy: 0.827
local terms energy: -83.374725
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -22.922
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: 1
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -229.338281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.338281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.338281 (E_RNA)
where:
Base-Base interactions energy: -146.713
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.013
local terms energy: -82.612692
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -19.839
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: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -217.980166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.980166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.980166 (E_RNA)
where:
Base-Base interactions energy: -150.375
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.528
local terms energy: -67.077712
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -219.575975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.575975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.575975 (E_RNA)
where:
Base-Base interactions energy: -145.721
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.046
local terms energy: -73.809063
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -20.004
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: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -211.620751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.620751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.620751 (E_RNA)
where:
Base-Base interactions energy: -135.425
where: short stacking energy: -58.685
Base-Backbone interact. energy: -0.649
local terms energy: -75.546874
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -159.664452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.664452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.664452 (E_RNA)
where:
Base-Base interactions energy: -103.890
where: short stacking energy: -53.515
Base-Backbone interact. energy: -0.001
local terms energy: -55.773641
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -104.934009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.934009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.934009 (E_RNA)
where:
Base-Base interactions energy: -53.869
where: short stacking energy: -35.260
Base-Backbone interact. energy: -0.447
local terms energy: -50.617789
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -80.489270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.489270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.489270 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.204
local terms energy: -50.194939
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: 3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -78.322796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.322796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.322796 (E_RNA)
where:
Base-Base interactions energy: -24.271
where: short stacking energy: -24.271
Base-Backbone interact. energy: -0.340
local terms energy: -53.711945
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -229.913979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.913979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.913979 (E_RNA)
where:
Base-Base interactions energy: -145.621
where: short stacking energy: -67.953
Base-Backbone interact. energy: -0.033
local terms energy: -84.259711
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -235.740362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.740362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.740362 (E_RNA)
where:
Base-Base interactions energy: -158.722
where: short stacking energy: -77.406
Base-Backbone interact. energy: 0.350
local terms energy: -77.368145
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -224.070776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.070776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.070776 (E_RNA)
where:
Base-Base interactions energy: -146.890
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.182
local terms energy: -76.999093
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -223.393354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.393354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.393354 (E_RNA)
where:
Base-Base interactions energy: -149.277
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.353
local terms energy: -73.763530
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -216.818046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.818046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.818046 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.024
local terms energy: -77.699402
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -13.541
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: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -217.090757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.090757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.090757 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -66.746
Base-Backbone interact. energy: -1.461
local terms energy: -72.080764
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -148.018277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.018277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.018277 (E_RNA)
where:
Base-Base interactions energy: -94.511
where: short stacking energy: -48.320
Base-Backbone interact. energy: -0.155
local terms energy: -53.353175
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -91.271132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.271132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.271132 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.248
local terms energy: -56.981841
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -7.720
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: 137
Temperature: 1.300000
Total energy: -90.906842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.906842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.906842 (E_RNA)
where:
Base-Base interactions energy: -37.233
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.343
local terms energy: -53.331481
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -83.173757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.173757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.173757 (E_RNA)
where:
Base-Base interactions energy: -37.585
where: short stacking energy: -21.149
Base-Backbone interact. energy: -0.037
local terms energy: -45.551666
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -5.874
flat angles P-C4'-P energy: -8.500
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: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -236.723562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.723562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.723562 (E_RNA)
where:
Base-Base interactions energy: -155.487
where: short stacking energy: -75.542
Base-Backbone interact. energy: -0.026
local terms energy: -81.210182
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -223.433535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.433535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.433535 (E_RNA)
where:
Base-Base interactions energy: -149.159
where: short stacking energy: -66.796
Base-Backbone interact. energy: -0.016
local terms energy: -74.257807
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -220.305488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.305488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.305488 (E_RNA)
where:
Base-Base interactions energy: -151.767
where: short stacking energy: -62.622
Base-Backbone interact. energy: -0.196
local terms energy: -68.342929
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.971
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: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -228.547820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.547820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.547820 (E_RNA)
where:
Base-Base interactions energy: -149.884
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.824
local terms energy: -77.839875
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -20.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -199.550861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.550861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.550861 (E_RNA)
where:
Base-Base interactions energy: -124.828
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.575
local terms energy: -74.148131
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -14.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -211.765683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.765683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.765683 (E_RNA)
where:
Base-Base interactions energy: -139.531
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.862
local terms energy: -71.373053
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -155.786793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.786793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.786793 (E_RNA)
where:
Base-Base interactions energy: -95.781
where: short stacking energy: -46.626
Base-Backbone interact. energy: -0.678
local terms energy: -59.327425
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -91.812018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.812018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.812018 (E_RNA)
where:
Base-Base interactions energy: -31.231
where: short stacking energy: -31.231
Base-Backbone interact. energy: 0.190
local terms energy: -60.771118
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -88.443610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.443610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.443610 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.385
local terms energy: -53.365329
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -5.562
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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -88.104299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104299 (E_RNA)
where:
Base-Base interactions energy: -48.053
where: short stacking energy: -37.003
Base-Backbone interact. energy: 2.672
local terms energy: -42.724133
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -7.101
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -7.058
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: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -235.437829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.437829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.437829 (E_RNA)
where:
Base-Base interactions energy: -158.275
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.329
local terms energy: -76.833581
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -219.663580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.663580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.663580 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -62.783
Base-Backbone interact. energy: -0.711
local terms energy: -70.183025
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -9.021
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: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -227.111161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.111161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.111161 (E_RNA)
where:
Base-Base interactions energy: -153.454
where: short stacking energy: -70.928
Base-Backbone interact. energy: -0.637
local terms energy: -73.019517
where:
bonds (distance) C4'-P energy: -7.970
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -20.919
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -213.073133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.073133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.073133 (E_RNA)
where:
Base-Base interactions energy: -143.868
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.001
local terms energy: -69.203964
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -8.623
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: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -213.135049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.135049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.135049 (E_RNA)
where:
Base-Base interactions energy: -140.177
where: short stacking energy: -69.401
Base-Backbone interact. energy: -0.004
local terms energy: -72.954551
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -10.972
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -204.924544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.924544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.924544 (E_RNA)
where:
Base-Base interactions energy: -142.674
where: short stacking energy: -65.070
Base-Backbone interact. energy: 0.339
local terms energy: -62.589962
where:
bonds (distance) C4'-P energy: -7.051
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -112.711924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.711924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.711924 (E_RNA)
where:
Base-Base interactions energy: -60.370
where: short stacking energy: -32.148
Base-Backbone interact. energy: -0.153
local terms energy: -52.189496
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -81.611488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.611488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.611488 (E_RNA)
where:
Base-Base interactions energy: -27.393
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.126
local terms energy: -54.093165
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -77.566166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.566166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.566166 (E_RNA)
where:
Base-Base interactions energy: -28.894
where: short stacking energy: -29.476
Base-Backbone interact. energy: -0.217
local terms energy: -48.455274
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -3.009
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -75.149259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.149259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.149259 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -38.227
Base-Backbone interact. energy: -0.082
local terms energy: -37.140618
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -9.067
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -238.852160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.852160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.852160 (E_RNA)
where:
Base-Base interactions energy: -160.530
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.001
local terms energy: -78.320690
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -232.105599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.105599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.105599 (E_RNA)
where:
Base-Base interactions energy: -149.486
where: short stacking energy: -76.393
Base-Backbone interact. energy: -2.070
local terms energy: -80.549353
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -215.750570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.750570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.750570 (E_RNA)
where:
Base-Base interactions energy: -138.157
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.049
local terms energy: -77.544850
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -221.200849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.200849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.200849 (E_RNA)
where:
Base-Base interactions energy: -144.199
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.100
local terms energy: -76.901719
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -20.265
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: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -211.661247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.661247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.661247 (E_RNA)
where:
Base-Base interactions energy: -143.974
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.053
local terms energy: -67.633401
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -5.361
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: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -200.160148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.160148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.160148 (E_RNA)
where:
Base-Base interactions energy: -126.033
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.635
local terms energy: -73.492526
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -16.442
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: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -87.489030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.489030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.489030 (E_RNA)
where:
Base-Base interactions energy: -42.910
where: short stacking energy: -23.579
Base-Backbone interact. energy: -0.862
local terms energy: -43.716991
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -5.664
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: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -112.273452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.273452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.273452 (E_RNA)
where:
Base-Base interactions energy: -64.809
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.720
local terms energy: -46.744816
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -84.735909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.735909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.735909 (E_RNA)
where:
Base-Base interactions energy: -43.830
where: short stacking energy: -20.264
Base-Backbone interact. energy: 1.684
local terms energy: -42.589796
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -9.571
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -87.291591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.291591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.291591 (E_RNA)
where:
Base-Base interactions energy: -35.891
where: short stacking energy: -25.519
Base-Backbone interact. energy: -0.399
local terms energy: -51.001477
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -10.516
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: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -229.190195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.190195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.190195 (E_RNA)
where:
Base-Base interactions energy: -155.068
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.574
local terms energy: -73.549130
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -22.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -233.242724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.242724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.242724 (E_RNA)
where:
Base-Base interactions energy: -152.153
where: short stacking energy: -71.457
Base-Backbone interact. energy: -0.279
local terms energy: -80.810864
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -234.902536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.902536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.902536 (E_RNA)
where:
Base-Base interactions energy: -153.117
where: short stacking energy: -76.287
Base-Backbone interact. energy: -0.023
local terms energy: -81.762408
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -23.729
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: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -219.698870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.698870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.698870 (E_RNA)
where:
Base-Base interactions energy: -142.678
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.000
local terms energy: -77.020909
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -210.343749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.343749 (E_RNA)
where:
Base-Base interactions energy: -132.766
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.002
local terms energy: -77.575470
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.044
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: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -178.397296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.397296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.397296 (E_RNA)
where:
Base-Base interactions energy: -113.490
where: short stacking energy: -48.522
Base-Backbone interact. energy: -0.338
local terms energy: -64.570002
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -17.892
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: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -132.068176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.068176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.068176 (E_RNA)
where:
Base-Base interactions energy: -66.589
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.159
local terms energy: -65.320504
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -10.656
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: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -94.904394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.904394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.904394 (E_RNA)
where:
Base-Base interactions energy: -47.828
where: short stacking energy: -12.830
Base-Backbone interact. energy: -0.469
local terms energy: -46.607373
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -4.427
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: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -117.691888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.691888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.691888 (E_RNA)
where:
Base-Base interactions energy: -71.171
where: short stacking energy: -33.895
Base-Backbone interact. energy: -1.033
local terms energy: -45.487938
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -6.631
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -77.092705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.092705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.092705 (E_RNA)
where:
Base-Base interactions energy: -28.523
where: short stacking energy: -19.286
Base-Backbone interact. energy: -0.195
local terms energy: -48.375522
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -232.903393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.903393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.903393 (E_RNA)
where:
Base-Base interactions energy: -150.752
where: short stacking energy: -72.134
Base-Backbone interact. energy: -0.644
local terms energy: -81.507427
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -237.102382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.102382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.102382 (E_RNA)
where:
Base-Base interactions energy: -160.064
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.351
local terms energy: -76.687529
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -22.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -228.377104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.377104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.377104 (E_RNA)
where:
Base-Base interactions energy: -150.847
where: short stacking energy: -72.721
Base-Backbone interact. energy: -0.068
local terms energy: -77.461659
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -20.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -213.865318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.865318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.865318 (E_RNA)
where:
Base-Base interactions energy: -142.239
where: short stacking energy: -66.339
Base-Backbone interact. energy: -0.095
local terms energy: -71.531407
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -205.489019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.489019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.489019 (E_RNA)
where:
Base-Base interactions energy: -137.884
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.084
local terms energy: -67.520639
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -16.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -191.627757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.627757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.627757 (E_RNA)
where:
Base-Base interactions energy: -128.603
where: short stacking energy: -58.781
Base-Backbone interact. energy: 0.151
local terms energy: -63.175345
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -9.310
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: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -171.174914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.174914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.174914 (E_RNA)
where:
Base-Base interactions energy: -115.250
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.645
local terms energy: -55.280662
where:
bonds (distance) C4'-P energy: -7.388
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -89.693825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.693825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.693825 (E_RNA)
where:
Base-Base interactions energy: -42.193
where: short stacking energy: -30.536
Base-Backbone interact. energy: 0.811
local terms energy: -48.311944
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -82.902883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.902883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.902883 (E_RNA)
where:
Base-Base interactions energy: -28.897
where: short stacking energy: -27.549
Base-Backbone interact. energy: 0.352
local terms energy: -54.358454
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -0.209
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -85.904208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.904208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.904208 (E_RNA)
where:
Base-Base interactions energy: -37.920
where: short stacking energy: -24.251
Base-Backbone interact. energy: 0.454
local terms energy: -48.437587
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -231.979177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.979177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.979177 (E_RNA)
where:
Base-Base interactions energy: -150.924
where: short stacking energy: -72.926
Base-Backbone interact. energy: -0.671
local terms energy: -80.383580
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -21.724
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: 2, replica: 9
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -231.181502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.181502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.181502 (E_RNA)
where:
Base-Base interactions energy: -149.451
where: short stacking energy: -69.137
Base-Backbone interact. energy: -0.046
local terms energy: -81.684608
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -229.617520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.617520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.617520 (E_RNA)
where:
Base-Base interactions energy: -148.396
where: short stacking energy: -71.300
Base-Backbone interact. energy: -0.068
local terms energy: -81.153089
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -229.837348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.837348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.837348 (E_RNA)
where:
Base-Base interactions energy: -150.915
where: short stacking energy: -68.396
Base-Backbone interact. energy: -0.042
local terms energy: -78.879691
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -211.453776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.453776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.453776 (E_RNA)
where:
Base-Base interactions energy: -139.536
where: short stacking energy: -54.014
Base-Backbone interact. energy: -0.385
local terms energy: -71.533341
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -170.825016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.825016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.825016 (E_RNA)
where:
Base-Base interactions energy: -109.780
where: short stacking energy: -48.142
Base-Backbone interact. energy: -0.356
local terms energy: -60.689680
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -204.118620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.118620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.118620 (E_RNA)
where:
Base-Base interactions energy: -129.988
where: short stacking energy: -56.874
Base-Backbone interact. energy: -0.735
local terms energy: -73.395221
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -95.682487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.682487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.682487 (E_RNA)
where:
Base-Base interactions energy: -43.772
where: short stacking energy: -30.637
Base-Backbone interact. energy: 0.141
local terms energy: -52.052143
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: 0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -83.679150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.679150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.679150 (E_RNA)
where:
Base-Base interactions energy: -32.086
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.161
local terms energy: -51.432579
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -82.533841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.533841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.533841 (E_RNA)
where:
Base-Base interactions energy: -29.889
where: short stacking energy: -29.889
Base-Backbone interact. energy: -0.466
local terms energy: -52.179673
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -7.877
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: 9
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -241.677954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.677954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.677954 (E_RNA)
where:
Base-Base interactions energy: -158.407
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.915
local terms energy: -82.355317
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -221.682676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.682676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.682676 (E_RNA)
where:
Base-Base interactions energy: -142.476
where: short stacking energy: -67.001
Base-Backbone interact. energy: -0.329
local terms energy: -78.878541
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -224.920052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.920052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.920052 (E_RNA)
where:
Base-Base interactions energy: -148.389
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.310
local terms energy: -76.220849
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -220.451536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.451536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.451536 (E_RNA)
where:
Base-Base interactions energy: -149.333
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.012
local terms energy: -71.106780
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -211.224147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.224147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.224147 (E_RNA)
where:
Base-Base interactions energy: -139.149
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.065
local terms energy: -72.009808
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -182.422624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.422624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.422624 (E_RNA)
where:
Base-Base interactions energy: -120.807
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.482
local terms energy: -61.134141
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -169.683545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.683545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.683545 (E_RNA)
where:
Base-Base interactions energy: -108.185
where: short stacking energy: -45.116
Base-Backbone interact. energy: -0.496
local terms energy: -61.003113
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -12.692
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: 144
Temperature: 1.250000
Total energy: -83.001949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.001949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.001949 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -25.839
Base-Backbone interact. energy: -0.151
local terms energy: -47.266288
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -77.894091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.894091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.894091 (E_RNA)
where:
Base-Base interactions energy: -36.422
where: short stacking energy: -36.422
Base-Backbone interact. energy: 1.560
local terms energy: -43.032155
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: 3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -75.676476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.676476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.676476 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -30.256
Base-Backbone interact. energy: -0.435
local terms energy: -44.985707
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -241.583200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.583200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.583200 (E_RNA)
where:
Base-Base interactions energy: -159.236
where: short stacking energy: -71.606
Base-Backbone interact. energy: -0.465
local terms energy: -81.882479
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -22.036
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: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -228.167799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.167799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.167799 (E_RNA)
where:
Base-Base interactions energy: -150.402
where: short stacking energy: -72.806
Base-Backbone interact. energy: -0.214
local terms energy: -77.552747
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -230.655414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.655414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.655414 (E_RNA)
where:
Base-Base interactions energy: -148.100
where: short stacking energy: -76.310
Base-Backbone interact. energy: -1.475
local terms energy: -81.080299
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -220.593115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.593115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.593115 (E_RNA)
where:
Base-Base interactions energy: -152.376
where: short stacking energy: -72.422
Base-Backbone interact. energy: -0.003
local terms energy: -68.214522
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -9.391
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: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -208.359672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.359672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.359672 (E_RNA)
where:
Base-Base interactions energy: -140.755
where: short stacking energy: -70.407
Base-Backbone interact. energy: -1.000
local terms energy: -66.604422
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -10.458
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: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -180.444110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.444110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.444110 (E_RNA)
where:
Base-Base interactions energy: -115.333
where: short stacking energy: -48.812
Base-Backbone interact. energy: 1.313
local terms energy: -66.423924
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -186.065280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.065280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065280 (E_RNA)
where:
Base-Base interactions energy: -123.313
where: short stacking energy: -53.359
Base-Backbone interact. energy: 0.327
local terms energy: -63.079844
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -3.360
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: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -92.137396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.137396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.137396 (E_RNA)
where:
Base-Base interactions energy: -35.229
where: short stacking energy: -35.229
Base-Backbone interact. energy: -0.177
local terms energy: -56.731404
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: -6.505
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: 145
Temperature: 1.300000
Total energy: -91.734705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.734705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.734705 (E_RNA)
where:
Base-Base interactions energy: -36.878
where: short stacking energy: -27.645
Base-Backbone interact. energy: -0.163
local terms energy: -54.693774
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -74.437828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.437828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.437828 (E_RNA)
where:
Base-Base interactions energy: -32.909
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.101
local terms energy: -41.427073
where:
bonds (distance) C4'-P energy: -7.765
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -4.060
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: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -237.143575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.143575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.143575 (E_RNA)
where:
Base-Base interactions energy: -158.537
where: short stacking energy: -71.923
Base-Backbone interact. energy: -0.002
local terms energy: -78.604557
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -235.622559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.622559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.622559 (E_RNA)
where:
Base-Base interactions energy: -155.910
where: short stacking energy: -77.578
Base-Backbone interact. energy: -0.000
local terms energy: -79.712449
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -13.290
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: 3, replica: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -230.448484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.448484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.448484 (E_RNA)
where:
Base-Base interactions energy: -154.567
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.003
local terms energy: -75.878867
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -213.305986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.305986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.305986 (E_RNA)
where:
Base-Base interactions energy: -138.815
where: short stacking energy: -62.934
Base-Backbone interact. energy: -1.076
local terms energy: -73.414946
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -15.157
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: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -191.926079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.926079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.926079 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -52.541
Base-Backbone interact. energy: 1.241
local terms energy: -65.003109
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -8.161
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: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -181.957307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.957307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.957307 (E_RNA)
where:
Base-Base interactions energy: -120.664
where: short stacking energy: -52.371
Base-Backbone interact. energy: -0.126
local terms energy: -61.166433
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -9.078
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: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -176.613539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.613539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.613539 (E_RNA)
where:
Base-Base interactions energy: -115.174
where: short stacking energy: -57.002
Base-Backbone interact. energy: 0.990
local terms energy: -62.430306
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -80.915332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.915332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.915332 (E_RNA)
where:
Base-Base interactions energy: -31.597
where: short stacking energy: -31.597
Base-Backbone interact. energy: -0.029
local terms energy: -49.289470
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -77.175528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.175528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.175528 (E_RNA)
where:
Base-Base interactions energy: -28.991
where: short stacking energy: -11.821
Base-Backbone interact. energy: -0.599
local terms energy: -47.585535
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -11.320
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: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -93.204106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.204106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.204106 (E_RNA)
where:
Base-Base interactions energy: -41.419
where: short stacking energy: -19.182
Base-Backbone interact. energy: -0.678
local terms energy: -51.107060
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -8.618
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: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -231.351638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.351638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.351638 (E_RNA)
where:
Base-Base interactions energy: -154.810
where: short stacking energy: -71.990
Base-Backbone interact. energy: -0.012
local terms energy: -76.529927
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -233.526140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.526140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.526140 (E_RNA)
where:
Base-Base interactions energy: -151.916
where: short stacking energy: -72.854
Base-Backbone interact. energy: -0.011
local terms energy: -81.598785
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -22.243
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: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -230.656160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.656160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.656160 (E_RNA)
where:
Base-Base interactions energy: -151.790
where: short stacking energy: -66.059
Base-Backbone interact. energy: -0.634
local terms energy: -78.232342
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -7.576
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -222.033459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.033459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.033459 (E_RNA)
where:
Base-Base interactions energy: -142.536
where: short stacking energy: -62.133
Base-Backbone interact. energy: -0.453
local terms energy: -79.044404
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -20.281
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: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -215.851769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.851769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.851769 (E_RNA)
where:
Base-Base interactions energy: -146.662
where: short stacking energy: -66.927
Base-Backbone interact. energy: 0.504
local terms energy: -69.693839
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -18.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -196.723698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.723698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.723698 (E_RNA)
where:
Base-Base interactions energy: -126.827
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.295
local terms energy: -69.601444
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -16.300
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: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -197.512532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.512532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.512532 (E_RNA)
where:
Base-Base interactions energy: -137.052
where: short stacking energy: -71.438
Base-Backbone interact. energy: -0.239
local terms energy: -60.221545
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -97.846437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.846437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.846437 (E_RNA)
where:
Base-Base interactions energy: -55.756
where: short stacking energy: -33.861
Base-Backbone interact. energy: 0.594
local terms energy: -42.685050
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: 0.193
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -86.889419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.889419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.889419 (E_RNA)
where:
Base-Base interactions energy: -41.927
where: short stacking energy: -33.054
Base-Backbone interact. energy: -0.142
local terms energy: -44.819741
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -6.952
flat angles P-C4'-P energy: -7.099
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: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -83.554557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.554557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.554557 (E_RNA)
where:
Base-Base interactions energy: -32.952
where: short stacking energy: -28.066
Base-Backbone interact. energy: -0.307
local terms energy: -50.295427
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -239.868424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.868424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.868424 (E_RNA)
where:
Base-Base interactions energy: -159.786
where: short stacking energy: -73.332
Base-Backbone interact. energy: -0.001
local terms energy: -80.081622
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -229.503035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.503035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.503035 (E_RNA)
where:
Base-Base interactions energy: -152.790
where: short stacking energy: -68.843
Base-Backbone interact. energy: 0.210
local terms energy: -76.923254
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -19.139
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: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -230.113522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.113522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.113522 (E_RNA)
where:
Base-Base interactions energy: -150.005
where: short stacking energy: -68.967
Base-Backbone interact. energy: -0.099
local terms energy: -80.009571
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -217.898950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.898950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.898950 (E_RNA)
where:
Base-Base interactions energy: -141.591
where: short stacking energy: -69.721
Base-Backbone interact. energy: -0.020
local terms energy: -76.288389
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -211.431241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.431241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.431241 (E_RNA)
where:
Base-Base interactions energy: -136.549
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.021
local terms energy: -74.860994
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -205.066100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.066100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.066100 (E_RNA)
where:
Base-Base interactions energy: -139.693
where: short stacking energy: -60.509
Base-Backbone interact. energy: -0.083
local terms energy: -65.289713
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -15.953
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: 148
Temperature: 1.200000
Total energy: -196.058454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.058454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.058454 (E_RNA)
where:
Base-Base interactions energy: -119.512
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.046
local terms energy: -76.500545
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -16.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -90.784889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.784889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.784889 (E_RNA)
where:
Base-Base interactions energy: -42.019
where: short stacking energy: -32.187
Base-Backbone interact. energy: -0.157
local terms energy: -48.609099
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -4.320
flat angles P-C4'-P energy: -12.392
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: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -88.372879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.372879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.372879 (E_RNA)
where:
Base-Base interactions energy: -38.212
where: short stacking energy: -30.407
Base-Backbone interact. energy: -0.264
local terms energy: -49.896700
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -83.385182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.385182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.385182 (E_RNA)
where:
Base-Base interactions energy: -28.543
where: short stacking energy: -28.643
Base-Backbone interact. energy: 0.319
local terms energy: -55.161301
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -11.054
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: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -235.136266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.136266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.136266 (E_RNA)
where:
Base-Base interactions energy: -154.377
where: short stacking energy: -72.641
Base-Backbone interact. energy: -0.295
local terms energy: -80.464674
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -233.794541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.794541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.794541 (E_RNA)
where:
Base-Base interactions energy: -150.865
where: short stacking energy: -67.139
Base-Backbone interact. energy: -0.000
local terms energy: -82.928672
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -224.886810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.886810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.886810 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.008
local terms energy: -84.289652
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -19.487
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: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -210.640824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.640824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.640824 (E_RNA)
where:
Base-Base interactions energy: -141.931
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.758
local terms energy: -67.951972
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -216.287542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.287542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.287542 (E_RNA)
where:
Base-Base interactions energy: -137.645
where: short stacking energy: -69.471
Base-Backbone interact. energy: -2.054
local terms energy: -76.588213
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -185.040255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.040255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.040255 (E_RNA)
where:
Base-Base interactions energy: -122.134
where: short stacking energy: -55.268
Base-Backbone interact. energy: -0.080
local terms energy: -62.826210
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -194.230077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.230077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.230077 (E_RNA)
where:
Base-Base interactions energy: -131.987
where: short stacking energy: -59.035
Base-Backbone interact. energy: -0.396
local terms energy: -61.847131
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -16.929
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: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -92.908755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.908755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.908755 (E_RNA)
where:
Base-Base interactions energy: -41.110
where: short stacking energy: -31.416
Base-Backbone interact. energy: 1.289
local terms energy: -53.088030
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -88.280967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.280967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.280967 (E_RNA)
where:
Base-Base interactions energy: -39.197
where: short stacking energy: -30.255
Base-Backbone interact. energy: -0.305
local terms energy: -48.779660
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -7.370
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: 7
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -82.545328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.545328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.545328 (E_RNA)
where:
Base-Base interactions energy: -37.162
where: short stacking energy: -31.666
Base-Backbone interact. energy: -0.174
local terms energy: -45.208688
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -239.519138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.519138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.519138 (E_RNA)
where:
Base-Base interactions energy: -157.856
where: short stacking energy: -73.658
Base-Backbone interact. energy: -0.075
local terms energy: -81.588557
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -233.734940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.734940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.734940 (E_RNA)
where:
Base-Base interactions energy: -159.593
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.588
local terms energy: -73.554775
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -228.798803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.798803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.798803 (E_RNA)
where:
Base-Base interactions energy: -151.238
where: short stacking energy: -72.544
Base-Backbone interact. energy: -0.623
local terms energy: -76.938192
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -204.242582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.242582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.242582 (E_RNA)
where:
Base-Base interactions energy: -139.396
where: short stacking energy: -62.022
Base-Backbone interact. energy: -0.831
local terms energy: -64.015653
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -4.403
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: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -211.658046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.658046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.658046 (E_RNA)
where:
Base-Base interactions energy: -142.229
where: short stacking energy: -65.533
Base-Backbone interact. energy: -0.021
local terms energy: -69.407780
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -192.573848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.573848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.573848 (E_RNA)
where:
Base-Base interactions energy: -128.736
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.828
local terms energy: -63.009512
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -195.464439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.464439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.464439 (E_RNA)
where:
Base-Base interactions energy: -122.487
where: short stacking energy: -53.752
Base-Backbone interact. energy: -1.934
local terms energy: -71.043242
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -90.312402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.312402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.312402 (E_RNA)
where:
Base-Base interactions energy: -32.725
where: short stacking energy: -30.675
Base-Backbone interact. energy: -0.024
local terms energy: -57.563483
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -85.343200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343200 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -19.398
Base-Backbone interact. energy: -0.246
local terms energy: -44.887954
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -6.397
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: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -84.413461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.413461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.413461 (E_RNA)
where:
Base-Base interactions energy: -30.203
where: short stacking energy: -18.429
Base-Backbone interact. energy: 1.531
local terms energy: -55.741878
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -5.074
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: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -239.484685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.484685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.484685 (E_RNA)
where:
Base-Base interactions energy: -156.813
where: short stacking energy: -74.128
Base-Backbone interact. energy: 0.177
local terms energy: -82.848404
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -21.553
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: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -227.608372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.608372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.608372 (E_RNA)
where:
Base-Base interactions energy: -148.874
where: short stacking energy: -69.986
Base-Backbone interact. energy: 0.136
local terms energy: -78.870608
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -19.299
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: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -226.598598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.598598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.598598 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.444
local terms energy: -77.005828
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -221.462834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.462834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.462834 (E_RNA)
where:
Base-Base interactions energy: -142.858
where: short stacking energy: -68.531
Base-Backbone interact. energy: -1.641
local terms energy: -76.963407
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -205.471625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.471625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.471625 (E_RNA)
where:
Base-Base interactions energy: -138.013
where: short stacking energy: -60.260
Base-Backbone interact. energy: -0.000
local terms energy: -67.457996
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -208.947585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.947585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.947585 (E_RNA)
where:
Base-Base interactions energy: -140.081
where: short stacking energy: -68.754
Base-Backbone interact. energy: -1.617
local terms energy: -67.249824
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -11.136
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: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -200.505347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.505347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.505347 (E_RNA)
where:
Base-Base interactions energy: -136.398
where: short stacking energy: -65.539
Base-Backbone interact. energy: -1.357
local terms energy: -62.749783
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -10.295
flat angles P-C4'-P energy: -10.201
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: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -86.740754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.740754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.740754 (E_RNA)
where:
Base-Base interactions energy: -41.698
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.130
local terms energy: -44.912418
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -96.275239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.275239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.275239 (E_RNA)
where:
Base-Base interactions energy: -46.852
where: short stacking energy: -39.186
Base-Backbone interact. energy: 0.105
local terms energy: -49.528719
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -88.510940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.510940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.510940 (E_RNA)
where:
Base-Base interactions energy: -44.130
where: short stacking energy: -36.272
Base-Backbone interact. energy: -0.670
local terms energy: -43.710952
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -237.165084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.165084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.165084 (E_RNA)
where:
Base-Base interactions energy: -152.757
where: short stacking energy: -72.024
Base-Backbone interact. energy: 1.545
local terms energy: -85.952680
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -230.179408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.179408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.179408 (E_RNA)
where:
Base-Base interactions energy: -158.414
where: short stacking energy: -76.539
Base-Backbone interact. energy: -0.463
local terms energy: -71.302317
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -18.951
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: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -224.728158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.728158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.728158 (E_RNA)
where:
Base-Base interactions energy: -148.936
where: short stacking energy: -65.768
Base-Backbone interact. energy: -0.060
local terms energy: -75.732598
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -222.933962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.933962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.933962 (E_RNA)
where:
Base-Base interactions energy: -148.429
where: short stacking energy: -64.997
Base-Backbone interact. energy: -0.253
local terms energy: -74.251235
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -11.376
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: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -209.044364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.044364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.044364 (E_RNA)
where:
Base-Base interactions energy: -137.906
where: short stacking energy: -58.277
Base-Backbone interact. energy: -0.481
local terms energy: -70.658322
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -190.713997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.713997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.713997 (E_RNA)
where:
Base-Base interactions energy: -129.915
where: short stacking energy: -56.618
Base-Backbone interact. energy: -0.416
local terms energy: -60.382711
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -8.318
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: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -183.485985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.485985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.485985 (E_RNA)
where:
Base-Base interactions energy: -118.426
where: short stacking energy: -49.168
Base-Backbone interact. energy: -0.667
local terms energy: -64.392874
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.702
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: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -106.019077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.019077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.019077 (E_RNA)
where:
Base-Base interactions energy: -57.992
where: short stacking energy: -31.850
Base-Backbone interact. energy: -0.302
local terms energy: -47.725681
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -2.865
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -123.541615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.541615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.541615 (E_RNA)
where:
Base-Base interactions energy: -69.589
where: short stacking energy: -35.662
Base-Backbone interact. energy: -0.553
local terms energy: -53.399646
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -9.620
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -73.481130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.481130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.481130 (E_RNA)
where:
Base-Base interactions energy: -22.522
where: short stacking energy: -14.446
Base-Backbone interact. energy: 0.254
local terms energy: -51.213622
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -230.894823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.894823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.894823 (E_RNA)
where:
Base-Base interactions energy: -156.468
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.003
local terms energy: -74.423821
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -232.453844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.453844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.453844 (E_RNA)
where:
Base-Base interactions energy: -150.982
where: short stacking energy: -66.589
Base-Backbone interact. energy: -0.025
local terms energy: -81.446925
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -223.153116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.153116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.153116 (E_RNA)
where:
Base-Base interactions energy: -153.091
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.382
local terms energy: -69.680266
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -209.343033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.343033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.343033 (E_RNA)
where:
Base-Base interactions energy: -133.332
where: short stacking energy: -66.370
Base-Backbone interact. energy: -1.012
local terms energy: -74.999117
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -205.275508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.275508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.275508 (E_RNA)
where:
Base-Base interactions energy: -138.477
where: short stacking energy: -69.255
Base-Backbone interact. energy: -0.628
local terms energy: -66.171014
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -13.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -211.942058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.942058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.942058 (E_RNA)
where:
Base-Base interactions energy: -144.683
where: short stacking energy: -64.501
Base-Backbone interact. energy: -0.005
local terms energy: -67.253431
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -199.383448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.383448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.383448 (E_RNA)
where:
Base-Base interactions energy: -130.368
where: short stacking energy: -59.910
Base-Backbone interact. energy: -0.609
local terms energy: -68.406747
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -131.794981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.794981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.794981 (E_RNA)
where:
Base-Base interactions energy: -74.895
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.097
local terms energy: -56.802329
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -97.350926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.350926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.350926 (E_RNA)
where:
Base-Base interactions energy: -38.979
where: short stacking energy: -24.104
Base-Backbone interact. energy: -0.206
local terms energy: -58.165426
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -5.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -74.162941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.162941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.162941 (E_RNA)
where:
Base-Base interactions energy: -24.731
where: short stacking energy: -24.731
Base-Backbone interact. energy: 1.625
local terms energy: -51.057413
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -231.039363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.039363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.039363 (E_RNA)
where:
Base-Base interactions energy: -158.141
where: short stacking energy: -62.537
Base-Backbone interact. energy: -0.150
local terms energy: -72.748590
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -234.650358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.650358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.650358 (E_RNA)
where:
Base-Base interactions energy: -160.381
where: short stacking energy: -71.605
Base-Backbone interact. energy: 0.708
local terms energy: -74.977512
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -211.828779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.828779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.828779 (E_RNA)
where:
Base-Base interactions energy: -132.868
where: short stacking energy: -58.486
Base-Backbone interact. energy: -0.146
local terms energy: -78.814222
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -219.860226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.860226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.860226 (E_RNA)
where:
Base-Base interactions energy: -145.659
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.004
local terms energy: -74.196895
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -192.102573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.102573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.102573 (E_RNA)
where:
Base-Base interactions energy: -136.605
where: short stacking energy: -64.526
Base-Backbone interact. energy: 0.377
local terms energy: -55.874175
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -7.337
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -213.195032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.195032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.195032 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.589
local terms energy: -76.663534
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -197.125824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.125824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.125824 (E_RNA)
where:
Base-Base interactions energy: -131.825
where: short stacking energy: -52.823
Base-Backbone interact. energy: -0.069
local terms energy: -65.231332
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -122.296032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.296032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.296032 (E_RNA)
where:
Base-Base interactions energy: -62.002
where: short stacking energy: -28.699
Base-Backbone interact. energy: -0.466
local terms energy: -59.828259
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -78.419489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.419489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.419489 (E_RNA)
where:
Base-Base interactions energy: -30.797
where: short stacking energy: -30.797
Base-Backbone interact. energy: -0.042
local terms energy: -47.580425
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -75.782913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.782913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.782913 (E_RNA)
where:
Base-Base interactions energy: -30.419
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.082
local terms energy: -45.282280
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -1.332
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -232.903238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.903238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.903238 (E_RNA)
where:
Base-Base interactions energy: -156.509
where: short stacking energy: -76.718
Base-Backbone interact. energy: -0.011
local terms energy: -76.384148
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -19.863
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: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -230.970672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.970672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.970672 (E_RNA)
where:
Base-Base interactions energy: -152.582
where: short stacking energy: -71.306
Base-Backbone interact. energy: -0.001
local terms energy: -78.387172
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -216.341781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.341781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.341781 (E_RNA)
where:
Base-Base interactions energy: -142.129
where: short stacking energy: -67.208
Base-Backbone interact. energy: -1.595
local terms energy: -72.618138
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -213.594600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.594600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.594600 (E_RNA)
where:
Base-Base interactions energy: -141.713
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.040
local terms energy: -71.842306
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -220.924834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.924834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.924834 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.590
local terms energy: -74.346405
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.466
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: 155
Temperature: 1.150000
Total energy: -212.852828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.852828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.852828 (E_RNA)
where:
Base-Base interactions energy: -142.348
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.483
local terms energy: -70.022171
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -6.468
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: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -180.713306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.713306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.713306 (E_RNA)
where:
Base-Base interactions energy: -112.828
where: short stacking energy: -70.957
Base-Backbone interact. energy: -0.025
local terms energy: -67.860102
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.040
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: 8, replica: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -127.301979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.301979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.301979 (E_RNA)
where:
Base-Base interactions energy: -75.725
where: short stacking energy: -40.350
Base-Backbone interact. energy: -0.325
local terms energy: -51.252887
where:
bonds (distance) C4'-P energy: -7.251
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -6.058
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: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -87.725288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.725288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.725288 (E_RNA)
where:
Base-Base interactions energy: -40.397
where: short stacking energy: -27.021
Base-Backbone interact. energy: -0.275
local terms energy: -47.053712
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -80.758714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758714 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -21.268
Base-Backbone interact. energy: -1.173
local terms energy: -43.902913
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -10.410
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -0.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -238.632385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.632385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.632385 (E_RNA)
where:
Base-Base interactions energy: -162.148
where: short stacking energy: -78.305
Base-Backbone interact. energy: -0.534
local terms energy: -75.949611
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -235.044109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.044109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.044109 (E_RNA)
where:
Base-Base interactions energy: -156.370
where: short stacking energy: -74.529
Base-Backbone interact. energy: -0.000
local terms energy: -78.673741
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -217.204631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.204631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.204631 (E_RNA)
where:
Base-Base interactions energy: -142.250
where: short stacking energy: -58.678
Base-Backbone interact. energy: 1.325
local terms energy: -76.279261
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -223.497332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.497332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.497332 (E_RNA)
where:
Base-Base interactions energy: -149.193
where: short stacking energy: -70.681
Base-Backbone interact. energy: -1.088
local terms energy: -73.216641
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -23.907
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: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -211.273986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.273986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.273986 (E_RNA)
where:
Base-Base interactions energy: -136.233
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.778
local terms energy: -74.263582
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -12.977
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: 6, replica: 9
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -203.519086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.519086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.519086 (E_RNA)
where:
Base-Base interactions energy: -134.979
where: short stacking energy: -65.866
Base-Backbone interact. energy: -0.087
local terms energy: -68.452868
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -141.559769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.559769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.559769 (E_RNA)
where:
Base-Base interactions energy: -86.433
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.075
local terms energy: -55.052126
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -124.002091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.002091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.002091 (E_RNA)
where:
Base-Base interactions energy: -66.745
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.374
local terms energy: -56.882962
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -3.999
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: 156
Temperature: 1.300000
Total energy: -83.144799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.144799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.144799 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -29.878
Base-Backbone interact. energy: -0.012
local terms energy: -50.662764
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -80.846847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.846847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.846847 (E_RNA)
where:
Base-Base interactions energy: -34.572
where: short stacking energy: -25.048
Base-Backbone interact. energy: -0.316
local terms energy: -45.959016
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: 2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -237.537089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.537089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.537089 (E_RNA)
where:
Base-Base interactions energy: -159.366
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.038
local terms energy: -78.133026
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -22.715
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: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -225.199335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.199335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.199335 (E_RNA)
where:
Base-Base interactions energy: -151.954
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.054
local terms energy: -73.191753
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -21.184
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: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -228.897833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.897833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.897833 (E_RNA)
where:
Base-Base interactions energy: -154.224
where: short stacking energy: -76.526
Base-Backbone interact. energy: -1.067
local terms energy: -73.607678
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -223.443589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.443589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.443589 (E_RNA)
where:
Base-Base interactions energy: -146.935
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.026
local terms energy: -76.482919
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -19.948
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: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -213.455755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.455755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.455755 (E_RNA)
where:
Base-Base interactions energy: -136.822
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.278
local terms energy: -76.355124
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -221.126050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.126050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.126050 (E_RNA)
where:
Base-Base interactions energy: -144.093
where: short stacking energy: -65.769
Base-Backbone interact. energy: -1.028
local terms energy: -76.005268
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -146.244471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.244471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.244471 (E_RNA)
where:
Base-Base interactions energy: -88.246
where: short stacking energy: -36.598
Base-Backbone interact. energy: -0.234
local terms energy: -57.764661
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -9.146
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: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -92.695375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.695375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.695375 (E_RNA)
where:
Base-Base interactions energy: -37.922
where: short stacking energy: -37.922
Base-Backbone interact. energy: -0.005
local terms energy: -54.769262
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -2.593
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -70.941652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.941652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.941652 (E_RNA)
where:
Base-Base interactions energy: -39.433
where: short stacking energy: -25.107
Base-Backbone interact. energy: -0.520
local terms energy: -30.988780
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: 2.475
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: 157
Temperature: 1.350000
Total energy: -72.490520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.490520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.490520 (E_RNA)
where:
Base-Base interactions energy: -33.388
where: short stacking energy: -32.300
Base-Backbone interact. energy: -0.036
local terms energy: -39.067043
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -5.830
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -228.109122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.109122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.109122 (E_RNA)
where:
Base-Base interactions energy: -146.320
where: short stacking energy: -69.531
Base-Backbone interact. energy: -0.061
local terms energy: -81.728491
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -234.523001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.523001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.523001 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.031
local terms energy: -81.047605
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -22.461
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: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -224.051898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.051898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.051898 (E_RNA)
where:
Base-Base interactions energy: -145.038
where: short stacking energy: -65.248
Base-Backbone interact. energy: 0.345
local terms energy: -79.359443
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -217.828668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.828668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.828668 (E_RNA)
where:
Base-Base interactions energy: -145.748
where: short stacking energy: -67.102
Base-Backbone interact. energy: -0.056
local terms energy: -72.024772
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -19.142
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: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -214.235297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.235297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.235297 (E_RNA)
where:
Base-Base interactions energy: -134.409
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.034
local terms energy: -79.792064
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -17.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -213.710858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.710858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.710858 (E_RNA)
where:
Base-Base interactions energy: -147.043
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.002
local terms energy: -66.665222
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -126.317781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.317781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.317781 (E_RNA)
where:
Base-Base interactions energy: -77.265
where: short stacking energy: -39.539
Base-Backbone interact. energy: 1.257
local terms energy: -50.309403
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -95.100224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.100224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.100224 (E_RNA)
where:
Base-Base interactions energy: -41.240
where: short stacking energy: -37.898
Base-Backbone interact. energy: -0.106
local terms energy: -53.754482
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -85.781315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.781315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.781315 (E_RNA)
where:
Base-Base interactions energy: -32.506
where: short stacking energy: -28.456
Base-Backbone interact. energy: -0.212
local terms energy: -53.063661
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -68.302418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.302418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.302418 (E_RNA)
where:
Base-Base interactions energy: -28.994
where: short stacking energy: -23.595
Base-Backbone interact. energy: 0.109
local terms energy: -39.417259
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -1.459
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -227.754834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.754834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.754834 (E_RNA)
where:
Base-Base interactions energy: -144.831
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.746
local terms energy: -82.177473
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -230.487001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.487001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.487001 (E_RNA)
where:
Base-Base interactions energy: -151.962
where: short stacking energy: -76.041
Base-Backbone interact. energy: -0.949
local terms energy: -77.575682
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -219.855256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.855256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.855256 (E_RNA)
where:
Base-Base interactions energy: -146.601
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.071
local terms energy: -73.182611
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -8.459
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: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -225.050813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.050813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.050813 (E_RNA)
where:
Base-Base interactions energy: -149.513
where: short stacking energy: -63.744
Base-Backbone interact. energy: 0.066
local terms energy: -75.603789
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -22.785
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: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -218.587861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.587861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.587861 (E_RNA)
where:
Base-Base interactions energy: -147.043
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.670
local terms energy: -70.874308
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -213.258349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258349 (E_RNA)
where:
Base-Base interactions energy: -140.124
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.007
local terms energy: -73.127334
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -125.960185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.960185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.960185 (E_RNA)
where:
Base-Base interactions energy: -70.665
where: short stacking energy: -35.393
Base-Backbone interact. energy: 0.995
local terms energy: -56.289977
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -94.797244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.797244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.797244 (E_RNA)
where:
Base-Base interactions energy: -51.099
where: short stacking energy: -37.237
Base-Backbone interact. energy: 0.989
local terms energy: -44.687693
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -73.717894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.717894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.717894 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.210
local terms energy: -38.629677
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -4.532
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -1.668
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: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -90.345930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345930 (E_RNA)
where:
Base-Base interactions energy: -45.523
where: short stacking energy: -32.065
Base-Backbone interact. energy: -0.151
local terms energy: -44.671806
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -234.209607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.209607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.209607 (E_RNA)
where:
Base-Base interactions energy: -154.987
where: short stacking energy: -76.715
Base-Backbone interact. energy: -0.903
local terms energy: -78.320273
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -23.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -226.229678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.229678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.229678 (E_RNA)
where:
Base-Base interactions energy: -146.542
where: short stacking energy: -70.722
Base-Backbone interact. energy: -0.838
local terms energy: -78.850299
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -21.827
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: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -230.945242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.945242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.945242 (E_RNA)
where:
Base-Base interactions energy: -153.065
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.281
local terms energy: -77.599283
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -224.514602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.514602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.514602 (E_RNA)
where:
Base-Base interactions energy: -152.570
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.082
local terms energy: -71.863058
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -21.591
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: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -209.115757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.115757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.115757 (E_RNA)
where:
Base-Base interactions energy: -137.678
where: short stacking energy: -59.683
Base-Backbone interact. energy: -0.547
local terms energy: -70.890063
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -18.679
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: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -178.237303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.237303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.237303 (E_RNA)
where:
Base-Base interactions energy: -113.692
where: short stacking energy: -58.394
Base-Backbone interact. energy: -0.023
local terms energy: -64.521764
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -112.232548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.232548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.232548 (E_RNA)
where:
Base-Base interactions energy: -60.414
where: short stacking energy: -37.446
Base-Backbone interact. energy: -0.061
local terms energy: -51.757763
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -7.495
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -99.810495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.810495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.810495 (E_RNA)
where:
Base-Base interactions energy: -43.105
where: short stacking energy: -23.498
Base-Backbone interact. energy: -0.444
local terms energy: -56.261435
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -7.494
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: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -115.768791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.768791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.768791 (E_RNA)
where:
Base-Base interactions energy: -54.706
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.324
local terms energy: -60.738723
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -5.807
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: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -68.020932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.020932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.020932 (E_RNA)
where:
Base-Base interactions energy: -22.616
where: short stacking energy: -22.616
Base-Backbone interact. energy: -0.693
local terms energy: -44.711846
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -226.931323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.931323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.931323 (E_RNA)
where:
Base-Base interactions energy: -149.082
where: short stacking energy: -78.707
Base-Backbone interact. energy: -0.477
local terms energy: -77.372209
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -227.522122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.522122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.522122 (E_RNA)
where:
Base-Base interactions energy: -150.074
where: short stacking energy: -72.445
Base-Backbone interact. energy: -0.008
local terms energy: -77.439909
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -226.881222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.881222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.881222 (E_RNA)
where:
Base-Base interactions energy: -153.218
where: short stacking energy: -77.669
Base-Backbone interact. energy: -1.334
local terms energy: -72.329424
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -8.745
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: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -215.832454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.832454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.832454 (E_RNA)
where:
Base-Base interactions energy: -139.061
where: short stacking energy: -67.169
Base-Backbone interact. energy: 0.100
local terms energy: -76.871396
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -227.696232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.696232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.696232 (E_RNA)
where:
Base-Base interactions energy: -149.874
where: short stacking energy: -70.508
Base-Backbone interact. energy: -0.288
local terms energy: -77.534507
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -13.333
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: 6, replica: 1
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -173.067296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.067296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.067296 (E_RNA)
where:
Base-Base interactions energy: -106.436
where: short stacking energy: -44.522
Base-Backbone interact. energy: -0.008
local terms energy: -66.622623
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -138.942057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.942057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.942057 (E_RNA)
where:
Base-Base interactions energy: -77.683
where: short stacking energy: -47.494
Base-Backbone interact. energy: -0.551
local terms energy: -60.708040
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -10.706
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: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -83.156170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.156170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.156170 (E_RNA)
where:
Base-Base interactions energy: -24.826
where: short stacking energy: -24.121
Base-Backbone interact. energy: 0.130
local terms energy: -58.459682
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -85.638575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.638575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.638575 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -27.998
Base-Backbone interact. energy: -0.362
local terms energy: -47.586837
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -74.993532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.993532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.993532 (E_RNA)
where:
Base-Base interactions energy: -26.728
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.633
local terms energy: -47.633039
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -8.412
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: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -232.587829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.587829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.587829 (E_RNA)
where:
Base-Base interactions energy: -153.584
where: short stacking energy: -76.491
Base-Backbone interact. energy: -0.026
local terms energy: -78.978311
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -23.005
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: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -225.832855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.832855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.832855 (E_RNA)
where:
Base-Base interactions energy: -149.263
where: short stacking energy: -70.869
Base-Backbone interact. energy: -0.788
local terms energy: -75.782334
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -220.526189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.526189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.526189 (E_RNA)
where:
Base-Base interactions energy: -141.157
where: short stacking energy: -66.920
Base-Backbone interact. energy: -1.574
local terms energy: -77.795089
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -215.848116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.848116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.848116 (E_RNA)
where:
Base-Base interactions energy: -145.451
where: short stacking energy: -63.613
Base-Backbone interact. energy: -0.776
local terms energy: -69.620896
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -202.658914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.658914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.658914 (E_RNA)
where:
Base-Base interactions energy: -130.909
where: short stacking energy: -61.007
Base-Backbone interact. energy: -0.027
local terms energy: -71.723299
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -205.440642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.440642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.440642 (E_RNA)
where:
Base-Base interactions energy: -135.147
where: short stacking energy: -62.373
Base-Backbone interact. energy: -0.079
local terms energy: -70.214400
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.961
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: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -127.922309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.922309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.922309 (E_RNA)
where:
Base-Base interactions energy: -74.768
where: short stacking energy: -32.081
Base-Backbone interact. energy: 1.847
local terms energy: -55.001916
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -7.050
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -9.539
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: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -95.308504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.308504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.308504 (E_RNA)
where:
Base-Base interactions energy: -46.146
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.012
local terms energy: -49.150471
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -87.008478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.008478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.008478 (E_RNA)
where:
Base-Base interactions energy: -29.023
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.630
local terms energy: -57.355468
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -87.190323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.190323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.190323 (E_RNA)
where:
Base-Base interactions energy: -27.542
where: short stacking energy: -21.521
Base-Backbone interact. energy: -0.482
local terms energy: -59.166993
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -14.451
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: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -233.638396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.638396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.638396 (E_RNA)
where:
Base-Base interactions energy: -149.456
where: short stacking energy: -75.527
Base-Backbone interact. energy: -1.467
local terms energy: -82.715689
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -22.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -226.003098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.003098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.003098 (E_RNA)
where:
Base-Base interactions energy: -149.570
where: short stacking energy: -75.744
Base-Backbone interact. energy: -1.333
local terms energy: -75.100773
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -231.233599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.233599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.233599 (E_RNA)
where:
Base-Base interactions energy: -149.332
where: short stacking energy: -72.707
Base-Backbone interact. energy: -0.407
local terms energy: -81.494949
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -221.962366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.962366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.962366 (E_RNA)
where:
Base-Base interactions energy: -148.909
where: short stacking energy: -69.432
Base-Backbone interact. energy: -0.853
local terms energy: -72.200142
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -206.118413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.118413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.118413 (E_RNA)
where:
Base-Base interactions energy: -134.894
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.430
local terms energy: -70.794328
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -18.182
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: 2
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -208.862938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.862938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.862938 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.010
local terms energy: -74.306507
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -136.306845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.306845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.306845 (E_RNA)
where:
Base-Base interactions energy: -73.138
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.257
local terms energy: -62.911738
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -93.796204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.796204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.796204 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -36.003
Base-Backbone interact. energy: -0.010
local terms energy: -57.783471
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -80.822414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.822414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.822414 (E_RNA)
where:
Base-Base interactions energy: -28.281
where: short stacking energy: -18.671
Base-Backbone interact. energy: 0.179
local terms energy: -52.719984
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: 0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -78.422329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422329 (E_RNA)
where:
Base-Base interactions energy: -35.822
where: short stacking energy: -28.775
Base-Backbone interact. energy: 0.348
local terms energy: -42.948332
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -9.195
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -228.139339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.139339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.139339 (E_RNA)
where:
Base-Base interactions energy: -146.143
where: short stacking energy: -72.732
Base-Backbone interact. energy: -0.006
local terms energy: -81.989986
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -22.553
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: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -221.860730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.860730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.860730 (E_RNA)
where:
Base-Base interactions energy: -144.371
where: short stacking energy: -69.022
Base-Backbone interact. energy: -1.639
local terms energy: -75.850192
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -219.909032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.909032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.909032 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -62.437
Base-Backbone interact. energy: -0.749
local terms energy: -75.884455
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -216.342007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342007 (E_RNA)
where:
Base-Base interactions energy: -139.993
where: short stacking energy: -67.761
Base-Backbone interact. energy: -0.001
local terms energy: -76.347707
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -10.698
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: 5, replica: 2
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -224.337322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.337322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.337322 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -65.255
Base-Backbone interact. energy: -0.345
local terms energy: -81.750509
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -20.812
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: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -200.604491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.604491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.604491 (E_RNA)
where:
Base-Base interactions energy: -138.257
where: short stacking energy: -65.689
Base-Backbone interact. energy: -0.004
local terms energy: -62.343338
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -17.723
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: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -127.785124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.785124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.785124 (E_RNA)
where:
Base-Base interactions energy: -77.981
where: short stacking energy: -34.829
Base-Backbone interact. energy: -0.412
local terms energy: -49.391537
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -93.490666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.490666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.490666 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -34.385
Base-Backbone interact. energy: -0.004
local terms energy: -59.101409
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -86.403300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.403300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.403300 (E_RNA)
where:
Base-Base interactions energy: -31.728
where: short stacking energy: -28.106
Base-Backbone interact. energy: -0.078
local terms energy: -54.597287
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -6.883
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: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -88.074181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.074181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.074181 (E_RNA)
where:
Base-Base interactions energy: -44.967
where: short stacking energy: -27.371
Base-Backbone interact. energy: -0.752
local terms energy: -42.354738
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -231.879539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.879539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.879539 (E_RNA)
where:
Base-Base interactions energy: -153.986
where: short stacking energy: -72.291
Base-Backbone interact. energy: -0.853
local terms energy: -77.040757
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -22.712
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: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -233.050575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.050575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.050575 (E_RNA)
where:
Base-Base interactions energy: -158.334
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.004
local terms energy: -74.712753
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -224.755373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.755373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.755373 (E_RNA)
where:
Base-Base interactions energy: -147.285
where: short stacking energy: -72.500
Base-Backbone interact. energy: -0.894
local terms energy: -76.575895
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -220.077313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077313 (E_RNA)
where:
Base-Base interactions energy: -143.700
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.245
local terms energy: -76.131892
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -11.823
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: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -211.150914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.150914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.150914 (E_RNA)
where:
Base-Base interactions energy: -142.367
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.016
local terms energy: -68.767857
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -12.646
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: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -206.907913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.907913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.907913 (E_RNA)
where:
Base-Base interactions energy: -143.206
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.114
local terms energy: -63.587992
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -96.553544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.553544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.553544 (E_RNA)
where:
Base-Base interactions energy: -43.555
where: short stacking energy: -42.035
Base-Backbone interact. energy: -0.039
local terms energy: -52.960328
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -94.558209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.558209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.558209 (E_RNA)
where:
Base-Base interactions energy: -46.496
where: short stacking energy: -24.466
Base-Backbone interact. energy: 1.635
local terms energy: -49.696405
where:
bonds (distance) C4'-P energy: -7.583
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -94.790672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.790672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.790672 (E_RNA)
where:
Base-Base interactions energy: -37.403
where: short stacking energy: -35.790
Base-Backbone interact. energy: -0.001
local terms energy: -57.386833
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -1.448
tors. eta vs tors. theta energy: -14.688
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: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -83.684962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.684962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.684962 (E_RNA)
where:
Base-Base interactions energy: -44.149
where: short stacking energy: -21.858
Base-Backbone interact. energy: -0.076
local terms energy: -39.460496
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -6.166
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -237.059272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.059272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.059272 (E_RNA)
where:
Base-Base interactions energy: -157.601
where: short stacking energy: -73.153
Base-Backbone interact. energy: -0.470
local terms energy: -78.988509
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -10.436
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: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -228.206737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.206737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.206737 (E_RNA)
where:
Base-Base interactions energy: -155.057
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.010
local terms energy: -73.138929
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -20.376
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: 166
Temperature: 1.000000
Total energy: -222.235830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.235830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.235830 (E_RNA)
where:
Base-Base interactions energy: -146.877
where: short stacking energy: -73.619
Base-Backbone interact. energy: 1.733
local terms energy: -77.091985
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -221.682388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.682388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.682388 (E_RNA)
where:
Base-Base interactions energy: -145.386
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.181
local terms energy: -76.115517
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -20.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -212.899655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.899655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.899655 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.028
local terms energy: -68.146394
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -18.397
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: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -197.427329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.427329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.427329 (E_RNA)
where:
Base-Base interactions energy: -130.052
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.664
local terms energy: -66.711030
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -90.648933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648933 (E_RNA)
where:
Base-Base interactions energy: -31.969
where: short stacking energy: -31.969
Base-Backbone interact. energy: -0.067
local terms energy: -58.612685
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -95.627986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.627986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.627986 (E_RNA)
where:
Base-Base interactions energy: -50.704
where: short stacking energy: -20.984
Base-Backbone interact. energy: -0.247
local terms energy: -44.676451
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -85.173489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.173489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.173489 (E_RNA)
where:
Base-Base interactions energy: -36.990
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.029
local terms energy: -48.155304
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -0.110
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -74.399351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.399351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.399351 (E_RNA)
where:
Base-Base interactions energy: -32.445
where: short stacking energy: -32.445
Base-Backbone interact. energy: -0.201
local terms energy: -41.753769
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -6.938
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: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -232.933774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.933774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.933774 (E_RNA)
where:
Base-Base interactions energy: -161.349
where: short stacking energy: -73.903
Base-Backbone interact. energy: 0.140
local terms energy: -71.724375
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -226.058423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.058423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.058423 (E_RNA)
where:
Base-Base interactions energy: -150.647
where: short stacking energy: -66.029
Base-Backbone interact. energy: -0.050
local terms energy: -75.361281
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -19.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -222.359940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.359940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.359940 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.595
local terms energy: -75.441709
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -227.944568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.944568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.944568 (E_RNA)
where:
Base-Base interactions energy: -153.821
where: short stacking energy: -70.460
Base-Backbone interact. energy: -0.100
local terms energy: -74.023771
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -211.423989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.423989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.423989 (E_RNA)
where:
Base-Base interactions energy: -141.549
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.660
local terms energy: -69.215578
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -16.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -207.518033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.518033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.518033 (E_RNA)
where:
Base-Base interactions energy: -142.313
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.647
local terms energy: -64.558085
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -90.256109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.256109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.256109 (E_RNA)
where:
Base-Base interactions energy: -30.756
where: short stacking energy: -29.014
Base-Backbone interact. energy: -0.044
local terms energy: -59.455320
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -117.456409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.456409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.456409 (E_RNA)
where:
Base-Base interactions energy: -60.540
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.079
local terms energy: -56.837035
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -8.123
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: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -79.517364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517364 (E_RNA)
where:
Base-Base interactions energy: -31.400
where: short stacking energy: -27.735
Base-Backbone interact. energy: -0.116
local terms energy: -48.000987
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -74.060863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.060863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.060863 (E_RNA)
where:
Base-Base interactions energy: -25.363
where: short stacking energy: -25.363
Base-Backbone interact. energy: -0.348
local terms energy: -48.349332
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -10.303
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -234.914966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.914966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.914966 (E_RNA)
where:
Base-Base interactions energy: -160.856
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.216
local terms energy: -73.842913
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -20.771
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: 168
Temperature: 0.950000
Total energy: -225.453214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.453214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.453214 (E_RNA)
where:
Base-Base interactions energy: -144.444
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.009
local terms energy: -80.999708
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -229.286820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.286820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.286820 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.047
local terms energy: -76.402486
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -219.813282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.813282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.813282 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.326
local terms energy: -74.708342
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -209.113700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.113700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.113700 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -68.425
Base-Backbone interact. energy: -0.005
local terms energy: -67.913585
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -12.115
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: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -199.217146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.217146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.217146 (E_RNA)
where:
Base-Base interactions energy: -132.174
where: short stacking energy: -58.918
Base-Backbone interact. energy: -0.079
local terms energy: -66.963831
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -11.548
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: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -106.154707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.154707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.154707 (E_RNA)
where:
Base-Base interactions energy: -46.322
where: short stacking energy: -35.558
Base-Backbone interact. energy: -0.514
local terms energy: -59.319613
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -86.661044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.661044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.661044 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -36.824
Base-Backbone interact. energy: -1.057
local terms energy: -44.682541
where:
bonds (distance) C4'-P energy: -6.497
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -87.405618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.405618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.405618 (E_RNA)
where:
Base-Base interactions energy: -43.718
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.192
local terms energy: -43.495213
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -2.940
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: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -83.235076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.235076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.235076 (E_RNA)
where:
Base-Base interactions energy: -31.300
where: short stacking energy: -31.300
Base-Backbone interact. energy: -0.098
local terms energy: -51.836416
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -234.997330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.997330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.997330 (E_RNA)
where:
Base-Base interactions energy: -155.589
where: short stacking energy: -71.731
Base-Backbone interact. energy: -0.030
local terms energy: -79.378509
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -22.511
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: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -226.982051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.982051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.982051 (E_RNA)
where:
Base-Base interactions energy: -144.567
where: short stacking energy: -72.408
Base-Backbone interact. energy: -0.692
local terms energy: -81.722369
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -218.095104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.095104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.095104 (E_RNA)
where:
Base-Base interactions energy: -143.542
where: short stacking energy: -68.988
Base-Backbone interact. energy: -0.505
local terms energy: -74.048237
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -221.055964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.055964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.055964 (E_RNA)
where:
Base-Base interactions energy: -151.826
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.168
local terms energy: -69.062050
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -212.603266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.603266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.603266 (E_RNA)
where:
Base-Base interactions energy: -141.193
where: short stacking energy: -59.254
Base-Backbone interact. energy: -0.018
local terms energy: -71.391703
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -201.004953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.004953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.004953 (E_RNA)
where:
Base-Base interactions energy: -129.864
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.104
local terms energy: -71.036803
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -109.441505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.441505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.441505 (E_RNA)
where:
Base-Base interactions energy: -62.962
where: short stacking energy: -33.735
Base-Backbone interact. energy: -0.082
local terms energy: -46.397725
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -5.727
flat angles P-C4'-P energy: -9.142
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: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -102.303586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.303586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.303586 (E_RNA)
where:
Base-Base interactions energy: -56.368
where: short stacking energy: -34.085
Base-Backbone interact. energy: 0.064
local terms energy: -45.999846
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -5.444
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: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -86.631392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.631392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.631392 (E_RNA)
where:
Base-Base interactions energy: -39.278
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.021
local terms energy: -47.332201
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -68.046777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.046777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.046777 (E_RNA)
where:
Base-Base interactions energy: -19.021
where: short stacking energy: -19.021
Base-Backbone interact. energy: -0.131
local terms energy: -48.894853
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -1.634
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: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -237.041525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.041525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.041525 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -77.500
Base-Backbone interact. energy: -0.017
local terms energy: -82.920403
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -232.064088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.064088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.064088 (E_RNA)
where:
Base-Base interactions energy: -156.488
where: short stacking energy: -65.208
Base-Backbone interact. energy: -0.015
local terms energy: -75.561103
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -21.846
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: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -215.226212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.226212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.226212 (E_RNA)
where:
Base-Base interactions energy: -141.864
where: short stacking energy: -67.549
Base-Backbone interact. energy: -0.201
local terms energy: -73.161390
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -217.582371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.582371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.582371 (E_RNA)
where:
Base-Base interactions energy: -137.787
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.001
local terms energy: -79.794573
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -22.329
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: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -213.698611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.698611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.698611 (E_RNA)
where:
Base-Base interactions energy: -137.956
where: short stacking energy: -64.605
Base-Backbone interact. energy: 0.501
local terms energy: -76.243526
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -19.093
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: 6, replica: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -218.605216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.605216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.605216 (E_RNA)
where:
Base-Base interactions energy: -142.103
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.010
local terms energy: -76.492911
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -103.114786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.114786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.114786 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -44.891
Base-Backbone interact. energy: -0.001
local terms energy: -58.179003
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -82.600481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.600481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.600481 (E_RNA)
where:
Base-Base interactions energy: -41.719
where: short stacking energy: -28.024
Base-Backbone interact. energy: -0.368
local terms energy: -40.513757
where:
bonds (distance) C4'-P energy: -5.326
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -81.499828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.499828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.499828 (E_RNA)
where:
Base-Base interactions energy: -27.935
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.284
local terms energy: -53.281301
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -81.488680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488680 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -22.829
Base-Backbone interact. energy: -0.087
local terms energy: -43.909621
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -7.488
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -228.730078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.730078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.730078 (E_RNA)
where:
Base-Base interactions energy: -151.487
where: short stacking energy: -66.450
Base-Backbone interact. energy: -0.358
local terms energy: -76.884705
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -21.483
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: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -229.603055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.603055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.603055 (E_RNA)
where:
Base-Base interactions energy: -153.431
where: short stacking energy: -66.860
Base-Backbone interact. energy: -0.277
local terms energy: -75.894795
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -20.651
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: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -229.873405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.873405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.873405 (E_RNA)
where:
Base-Base interactions energy: -149.861
where: short stacking energy: -71.034
Base-Backbone interact. energy: -1.322
local terms energy: -78.689835
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -22.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -200.886301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.886301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.886301 (E_RNA)
where:
Base-Base interactions energy: -131.702
where: short stacking energy: -63.273
Base-Backbone interact. energy: -1.236
local terms energy: -67.947718
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -208.563445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.563445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.563445 (E_RNA)
where:
Base-Base interactions energy: -134.123
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.274
local terms energy: -74.167107
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -199.518140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.518140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.518140 (E_RNA)
where:
Base-Base interactions energy: -127.362
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.017
local terms energy: -72.138693
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -7.785
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: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -101.821320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.821320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.821320 (E_RNA)
where:
Base-Base interactions energy: -45.797
where: short stacking energy: -40.709
Base-Backbone interact. energy: 1.219
local terms energy: -57.243364
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -11.047
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: 8
=====================================
Write number: 171
Temperature: 1.250000
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: -45.362
where: short stacking energy: -24.238
Base-Backbone interact. energy: -0.191
local terms energy: -53.022562
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -92.384691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.384691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.384691 (E_RNA)
where:
Base-Base interactions energy: -41.770
where: short stacking energy: -28.352
Base-Backbone interact. energy: -0.175
local terms energy: -50.439797
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -4.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -70.875244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.875244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.875244 (E_RNA)
where:
Base-Base interactions energy: -27.673
where: short stacking energy: -25.703
Base-Backbone interact. energy: -0.286
local terms energy: -42.916515
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: 3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -236.932638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.932638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.932638 (E_RNA)
where:
Base-Base interactions energy: -157.960
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.780
local terms energy: -78.192510
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -21.799
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: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -236.558347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.558347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.558347 (E_RNA)
where:
Base-Base interactions energy: -161.821
where: short stacking energy: -74.332
Base-Backbone interact. energy: -0.659
local terms energy: -74.078543
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -21.033
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: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -223.896360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.896360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.896360 (E_RNA)
where:
Base-Base interactions energy: -146.477
where: short stacking energy: -67.984
Base-Backbone interact. energy: -0.874
local terms energy: -76.545663
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -210.700356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.700356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.700356 (E_RNA)
where:
Base-Base interactions energy: -142.400
where: short stacking energy: -60.283
Base-Backbone interact. energy: -0.007
local terms energy: -68.292942
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -214.759734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.759734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.759734 (E_RNA)
where:
Base-Base interactions energy: -140.664
where: short stacking energy: -66.442
Base-Backbone interact. energy: 1.047
local terms energy: -75.142814
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -198.899390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.899390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.899390 (E_RNA)
where:
Base-Base interactions energy: -132.319
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.007
local terms energy: -66.573291
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -14.330
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: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -89.158828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.158828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.158828 (E_RNA)
where:
Base-Base interactions energy: -36.259
where: short stacking energy: -36.259
Base-Backbone interact. energy: -0.152
local terms energy: -52.748150
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -89.581172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.581172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.581172 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -28.986
Base-Backbone interact. energy: -0.756
local terms energy: -60.139437
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -97.442030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.442030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.442030 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -23.622
Base-Backbone interact. energy: -0.314
local terms energy: -52.272639
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -4.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -79.363841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.363841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.363841 (E_RNA)
where:
Base-Base interactions energy: -26.612
where: short stacking energy: -24.859
Base-Backbone interact. energy: -1.483
local terms energy: -51.269453
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -232.444305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.444305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.444305 (E_RNA)
where:
Base-Base interactions energy: -151.445
where: short stacking energy: -69.329
Base-Backbone interact. energy: -0.240
local terms energy: -80.759815
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -229.985870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.985870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.985870 (E_RNA)
where:
Base-Base interactions energy: -151.541
where: short stacking energy: -75.031
Base-Backbone interact. energy: -0.005
local terms energy: -78.439977
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -224.310326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.310326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310326 (E_RNA)
where:
Base-Base interactions energy: -150.130
where: short stacking energy: -69.883
Base-Backbone interact. energy: 0.452
local terms energy: -74.632143
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -220.741989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.741989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.741989 (E_RNA)
where:
Base-Base interactions energy: -146.484
where: short stacking energy: -71.941
Base-Backbone interact. energy: 0.443
local terms energy: -74.701795
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -202.264035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.264035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.264035 (E_RNA)
where:
Base-Base interactions energy: -130.485
where: short stacking energy: -58.683
Base-Backbone interact. energy: -0.478
local terms energy: -71.301278
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.228
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: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -214.558128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.558128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.558128 (E_RNA)
where:
Base-Base interactions energy: -140.522
where: short stacking energy: -67.374
Base-Backbone interact. energy: -0.596
local terms energy: -73.439275
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -12.743
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: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -87.589614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589614 (E_RNA)
where:
Base-Base interactions energy: -36.290
where: short stacking energy: -28.830
Base-Backbone interact. energy: -0.301
local terms energy: -50.998597
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -149.034952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.034952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.034952 (E_RNA)
where:
Base-Base interactions energy: -95.574
where: short stacking energy: -40.228
Base-Backbone interact. energy: -0.559
local terms energy: -52.902054
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -87.026837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.026837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.026837 (E_RNA)
where:
Base-Base interactions energy: -29.864
where: short stacking energy: -29.864
Base-Backbone interact. energy: -0.221
local terms energy: -56.942229
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.364
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: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -77.247894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.247894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.247894 (E_RNA)
where:
Base-Base interactions energy: -30.660
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.366
local terms energy: -46.221032
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -5.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -240.586389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.586389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.586389 (E_RNA)
where:
Base-Base interactions energy: -155.862
where: short stacking energy: -74.455
Base-Backbone interact. energy: -0.043
local terms energy: -84.681784
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -230.539067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.539067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.539067 (E_RNA)
where:
Base-Base interactions energy: -155.651
where: short stacking energy: -72.361
Base-Backbone interact. energy: -0.006
local terms energy: -74.882114
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -21.124
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: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -224.965666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.965666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.965666 (E_RNA)
where:
Base-Base interactions energy: -147.252
where: short stacking energy: -68.130
Base-Backbone interact. energy: -0.001
local terms energy: -77.712652
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -20.851
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: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -205.219563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.219563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.219563 (E_RNA)
where:
Base-Base interactions energy: -127.259
where: short stacking energy: -61.828
Base-Backbone interact. energy: -0.992
local terms energy: -76.968639
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -219.293417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.293417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.293417 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -68.210
Base-Backbone interact. energy: -0.129
local terms energy: -79.639553
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -22.045
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: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -186.494140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.494140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.494140 (E_RNA)
where:
Base-Base interactions energy: -122.416
where: short stacking energy: -54.510
Base-Backbone interact. energy: 1.222
local terms energy: -65.299623
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -170.021245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.021245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.021245 (E_RNA)
where:
Base-Base interactions energy: -104.760
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.491
local terms energy: -64.770238
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -87.055184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.055184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.055184 (E_RNA)
where:
Base-Base interactions energy: -31.568
where: short stacking energy: -31.568
Base-Backbone interact. energy: -0.252
local terms energy: -55.235767
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -79.812123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.812123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.812123 (E_RNA)
where:
Base-Base interactions energy: -36.329
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.002
local terms energy: -43.481809
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -1.827
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -81.862224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.862224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.862224 (E_RNA)
where:
Base-Base interactions energy: -26.814
where: short stacking energy: -19.481
Base-Backbone interact. energy: -0.203
local terms energy: -54.844663
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -8.797
flat angles P-C4'-P energy: -11.097
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: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -237.493642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.493642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.493642 (E_RNA)
where:
Base-Base interactions energy: -155.624
where: short stacking energy: -75.401
Base-Backbone interact. energy: -0.282
local terms energy: -81.587541
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -24.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -229.816415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.816415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.816415 (E_RNA)
where:
Base-Base interactions energy: -151.374
where: short stacking energy: -72.078
Base-Backbone interact. energy: -0.437
local terms energy: -78.004848
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -22.323
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: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -231.065038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.065038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.065038 (E_RNA)
where:
Base-Base interactions energy: -155.686
where: short stacking energy: -73.865
Base-Backbone interact. energy: -0.312
local terms energy: -75.067137
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -221.615150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.615150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.615150 (E_RNA)
where:
Base-Base interactions energy: -149.902
where: short stacking energy: -77.675
Base-Backbone interact. energy: -1.161
local terms energy: -70.552147
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -7.629
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -219.479877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.479877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.479877 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -66.245
Base-Backbone interact. energy: -0.482
local terms energy: -67.033514
where:
bonds (distance) C4'-P energy: -7.856
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -21.676
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: 175
Temperature: 1.150000
Total energy: -180.757939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.757939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.757939 (E_RNA)
where:
Base-Base interactions energy: -114.283
where: short stacking energy: -50.175
Base-Backbone interact. energy: 0.142
local terms energy: -66.617811
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -11.394
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: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -187.060257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.060257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.060257 (E_RNA)
where:
Base-Base interactions energy: -127.556
where: short stacking energy: -58.750
Base-Backbone interact. energy: 0.501
local terms energy: -60.005319
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -12.645
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: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -85.770346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.770346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.770346 (E_RNA)
where:
Base-Base interactions energy: -43.765
where: short stacking energy: -30.119
Base-Backbone interact. energy: -0.528
local terms energy: -41.477182
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: -1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -79.364667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.364667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.364667 (E_RNA)
where:
Base-Base interactions energy: -32.105
where: short stacking energy: -32.105
Base-Backbone interact. energy: 2.332
local terms energy: -49.591526
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -3.423
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: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -82.437728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437728 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -27.793
Base-Backbone interact. energy: 0.554
local terms energy: -54.498287
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -10.283
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: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -243.845986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.845986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.845986 (E_RNA)
where:
Base-Base interactions energy: -161.300
where: short stacking energy: -73.625
Base-Backbone interact. energy: 0.215
local terms energy: -82.760751
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -223.682274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.682274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.682274 (E_RNA)
where:
Base-Base interactions energy: -150.248
where: short stacking energy: -62.588
Base-Backbone interact. energy: -0.406
local terms energy: -73.027839
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -10.266
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: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -216.119861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.119861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.119861 (E_RNA)
where:
Base-Base interactions energy: -135.143
where: short stacking energy: -62.484
Base-Backbone interact. energy: -1.042
local terms energy: -79.934660
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -215.259627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.259627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.259627 (E_RNA)
where:
Base-Base interactions energy: -148.008
where: short stacking energy: -63.455
Base-Backbone interact. energy: 0.456
local terms energy: -67.708313
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -218.191582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.191582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.191582 (E_RNA)
where:
Base-Base interactions energy: -145.707
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.339
local terms energy: -72.146079
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -211.057057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.057057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.057057 (E_RNA)
where:
Base-Base interactions energy: -129.760
where: short stacking energy: -57.459
Base-Backbone interact. energy: -0.003
local terms energy: -81.294165
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -183.630275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.630275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.630275 (E_RNA)
where:
Base-Base interactions energy: -118.347
where: short stacking energy: -54.500
Base-Backbone interact. energy: -0.473
local terms energy: -64.810282
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -106.898635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.898635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.898635 (E_RNA)
where:
Base-Base interactions energy: -53.792
where: short stacking energy: -31.749
Base-Backbone interact. energy: -0.100
local terms energy: -53.006896
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -76.243511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.243511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.243511 (E_RNA)
where:
Base-Base interactions energy: -31.159
where: short stacking energy: -27.669
Base-Backbone interact. energy: -0.106
local terms energy: -44.979046
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -80.699548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699548 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.049
local terms energy: -44.487359
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -2.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -232.712879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.712879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.712879 (E_RNA)
where:
Base-Base interactions energy: -151.467
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.228
local terms energy: -81.017313
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -13.294
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: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -223.377352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.377352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.377352 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -66.395
Base-Backbone interact. energy: -0.001
local terms energy: -80.660741
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -219.400957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.400957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.400957 (E_RNA)
where:
Base-Base interactions energy: -144.953
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.038
local terms energy: -74.409324
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -217.072845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.072845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.072845 (E_RNA)
where:
Base-Base interactions energy: -138.923
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.544
local terms energy: -77.605892
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -12.279
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: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -203.756495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.756495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.756495 (E_RNA)
where:
Base-Base interactions energy: -131.041
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.004
local terms energy: -72.711326
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -16.990
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: 6, replica: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -210.550430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.550430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.550430 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.058
local terms energy: -71.712920
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -18.627
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: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -183.974498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.974498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.974498 (E_RNA)
where:
Base-Base interactions energy: -123.050
where: short stacking energy: -59.787
Base-Backbone interact. energy: -1.304
local terms energy: -59.621048
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -91.508387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508387 (E_RNA)
where:
Base-Base interactions energy: -39.313
where: short stacking energy: -39.259
Base-Backbone interact. energy: -0.311
local terms energy: -51.884595
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -118.545804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.545804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.545804 (E_RNA)
where:
Base-Base interactions energy: -63.663
where: short stacking energy: -37.157
Base-Backbone interact. energy: -0.141
local terms energy: -54.741888
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -88.915124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.915124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.915124 (E_RNA)
where:
Base-Base interactions energy: -35.001
where: short stacking energy: -25.618
Base-Backbone interact. energy: -0.094
local terms energy: -53.820294
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -241.578981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.578981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.578981 (E_RNA)
where:
Base-Base interactions energy: -156.620
where: short stacking energy: -65.538
Base-Backbone interact. energy: -0.649
local terms energy: -84.310631
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -227.897949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.897949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.897949 (E_RNA)
where:
Base-Base interactions energy: -151.698
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.686
local terms energy: -75.514062
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -21.655
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: 178
Temperature: 1.000000
Total energy: -226.897548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.897548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.897548 (E_RNA)
where:
Base-Base interactions energy: -151.899
where: short stacking energy: -75.390
Base-Backbone interact. energy: -0.303
local terms energy: -74.695964
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -18.554
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: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -214.633990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.633990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.633990 (E_RNA)
where:
Base-Base interactions energy: -142.942
where: short stacking energy: -71.023
Base-Backbone interact. energy: -0.103
local terms energy: -71.588399
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -22.090
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: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -219.277916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.277916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.277916 (E_RNA)
where:
Base-Base interactions energy: -145.937
where: short stacking energy: -71.624
Base-Backbone interact. energy: -0.002
local terms energy: -73.338803
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.228
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: 6, replica: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -209.662980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.662980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.662980 (E_RNA)
where:
Base-Base interactions energy: -138.647
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.004
local terms energy: -71.012450
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -176.267473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.267473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.267473 (E_RNA)
where:
Base-Base interactions energy: -112.954
where: short stacking energy: -52.685
Base-Backbone interact. energy: -0.921
local terms energy: -62.392737
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -17.010
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: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -82.229520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.229520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.229520 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -35.982
Base-Backbone interact. energy: -0.192
local terms energy: -46.055803
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -109.672677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.672677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.672677 (E_RNA)
where:
Base-Base interactions energy: -58.386
where: short stacking energy: -31.665
Base-Backbone interact. energy: -0.320
local terms energy: -50.966474
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -4.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -84.969342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.969342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.969342 (E_RNA)
where:
Base-Base interactions energy: -40.022
where: short stacking energy: -24.008
Base-Backbone interact. energy: -0.019
local terms energy: -44.927841
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -8.852
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: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -236.186607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.186607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.186607 (E_RNA)
where:
Base-Base interactions energy: -155.617
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.602
local terms energy: -79.967244
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -19.756
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -227.398111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.398111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.398111 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -69.543
Base-Backbone interact. energy: -0.315
local terms energy: -79.419708
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -219.153864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.153864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.153864 (E_RNA)
where:
Base-Base interactions energy: -147.659
where: short stacking energy: -59.877
Base-Backbone interact. energy: 0.200
local terms energy: -71.694722
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -218.981324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.981324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.981324 (E_RNA)
where:
Base-Base interactions energy: -146.411
where: short stacking energy: -70.716
Base-Backbone interact. energy: -0.737
local terms energy: -71.833004
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -210.892590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.892590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.892590 (E_RNA)
where:
Base-Base interactions energy: -141.227
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.003
local terms energy: -69.662401
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -217.140398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.140398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.140398 (E_RNA)
where:
Base-Base interactions energy: -141.518
where: short stacking energy: -68.002
Base-Backbone interact. energy: -0.001
local terms energy: -75.621718
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -7.511
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: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -198.941161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.941161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.941161 (E_RNA)
where:
Base-Base interactions energy: -125.524
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.001
local terms energy: -73.415632
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -109.673677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.673677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.673677 (E_RNA)
where:
Base-Base interactions energy: -65.666
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.074
local terms energy: -43.933163
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -4.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -77.316872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.316872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.316872 (E_RNA)
where:
Base-Base interactions energy: -25.116
where: short stacking energy: -25.116
Base-Backbone interact. energy: -0.142
local terms energy: -52.059078
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -74.602365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.602365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.602365 (E_RNA)
where:
Base-Base interactions energy: -28.407
where: short stacking energy: -23.208
Base-Backbone interact. energy: -0.727
local terms energy: -45.468311
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -5.617
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: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -237.306713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.306713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.306713 (E_RNA)
where:
Base-Base interactions energy: -158.617
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.062
local terms energy: -78.628258
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -21.384
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -221.100450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.100450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.100450 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.018
local terms energy: -74.250384
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -231.873307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.873307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.873307 (E_RNA)
where:
Base-Base interactions energy: -153.725
where: short stacking energy: -70.708
Base-Backbone interact. energy: 0.687
local terms energy: -78.835601
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -21.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -219.740406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.740406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.740406 (E_RNA)
where:
Base-Base interactions energy: -144.323
where: short stacking energy: -64.081
Base-Backbone interact. energy: 0.012
local terms energy: -75.429217
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -209.941971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.941971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.941971 (E_RNA)
where:
Base-Base interactions energy: -139.368
where: short stacking energy: -57.881
Base-Backbone interact. energy: -0.348
local terms energy: -70.226115
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -174.819963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819963 (E_RNA)
where:
Base-Base interactions energy: -116.301
where: short stacking energy: -53.140
Base-Backbone interact. energy: -0.171
local terms energy: -58.348051
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -4.563
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: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -203.211749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.211749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.211749 (E_RNA)
where:
Base-Base interactions energy: -134.637
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.070
local terms energy: -68.504822
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -80.470636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.470636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.470636 (E_RNA)
where:
Base-Base interactions energy: -31.349
where: short stacking energy: -16.817
Base-Backbone interact. energy: -0.239
local terms energy: -48.882826
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -11.005
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: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -82.810634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.810634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.810634 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -32.362
Base-Backbone interact. energy: -0.474
local terms energy: -45.772792
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -0.526
tors. eta vs tors. theta energy: -3.533
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: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -81.521070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.521070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.521070 (E_RNA)
where:
Base-Base interactions energy: -35.542
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.200
local terms energy: -45.779690
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -238.171476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.171476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.171476 (E_RNA)
where:
Base-Base interactions energy: -158.421
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.322
local terms energy: -79.428409
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -228.498684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.498684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.498684 (E_RNA)
where:
Base-Base interactions energy: -157.520
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.000
local terms energy: -70.978302
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.627
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: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -219.180128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.180128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.180128 (E_RNA)
where:
Base-Base interactions energy: -140.841
where: short stacking energy: -69.261
Base-Backbone interact. energy: 0.729
local terms energy: -79.067936
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -221.078807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.078807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.078807 (E_RNA)
where:
Base-Base interactions energy: -139.774
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.018
local terms energy: -81.286778
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -13.754
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: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -214.741555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.741555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.741555 (E_RNA)
where:
Base-Base interactions energy: -141.653
where: short stacking energy: -71.098
Base-Backbone interact. energy: -1.095
local terms energy: -71.993463
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -198.411466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.411466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.411466 (E_RNA)
where:
Base-Base interactions energy: -122.462
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.001
local terms energy: -75.947880
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -11.628
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: 7, replica: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -177.156950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.156950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.156950 (E_RNA)
where:
Base-Base interactions energy: -114.300
where: short stacking energy: -55.092
Base-Backbone interact. energy: -0.671
local terms energy: -62.186113
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.652
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: 181
Temperature: 1.250000
Total energy: -82.838284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.838284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.838284 (E_RNA)
where:
Base-Base interactions energy: -29.729
where: short stacking energy: -30.929
Base-Backbone interact. energy: -0.132
local terms energy: -52.977603
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: 0.065
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: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -83.636614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.636614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.636614 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.704
local terms energy: -48.219203
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -74.140909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.140909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.140909 (E_RNA)
where:
Base-Base interactions energy: -22.066
where: short stacking energy: -22.066
Base-Backbone interact. energy: -0.084
local terms energy: -51.990961
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -240.662833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.662833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.662833 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -74.824
Base-Backbone interact. energy: -0.002
local terms energy: -81.737720
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -21.710
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: 182
Temperature: 0.950000
Total energy: -219.575275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.575275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.575275 (E_RNA)
where:
Base-Base interactions energy: -145.255
where: short stacking energy: -72.565
Base-Backbone interact. energy: -0.358
local terms energy: -73.961774
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -7.429
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -217.855899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.855899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.855899 (E_RNA)
where:
Base-Base interactions energy: -144.717
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.059
local terms energy: -73.079392
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -18.260
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: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -219.892737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.892737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.892737 (E_RNA)
where:
Base-Base interactions energy: -143.833
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.020
local terms energy: -76.039741
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -204.771529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.771529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.771529 (E_RNA)
where:
Base-Base interactions energy: -136.323
where: short stacking energy: -63.930
Base-Backbone interact. energy: -1.150
local terms energy: -67.298362
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -186.443303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.443303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.443303 (E_RNA)
where:
Base-Base interactions energy: -115.105
where: short stacking energy: -59.415
Base-Backbone interact. energy: 0.489
local terms energy: -71.827471
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.972
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: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -144.491177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.491177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.491177 (E_RNA)
where:
Base-Base interactions energy: -89.897
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.061
local terms energy: -54.532299
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -8.725
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -92.956801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.956801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.956801 (E_RNA)
where:
Base-Base interactions energy: -36.690
where: short stacking energy: -22.008
Base-Backbone interact. energy: 0.743
local terms energy: -57.009393
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -90.700030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.700030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.700030 (E_RNA)
where:
Base-Base interactions energy: -40.311
where: short stacking energy: -33.825
Base-Backbone interact. energy: 0.106
local terms energy: -50.494270
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -6.875
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -71.843125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.843125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.843125 (E_RNA)
where:
Base-Base interactions energy: -29.504
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.207
local terms energy: -42.131474
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -0.629
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -232.899123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.899123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.899123 (E_RNA)
where:
Base-Base interactions energy: -154.142
where: short stacking energy: -67.059
Base-Backbone interact. energy: -0.776
local terms energy: -77.980436
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -227.875432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.875432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.875432 (E_RNA)
where:
Base-Base interactions energy: -146.980
where: short stacking energy: -68.075
Base-Backbone interact. energy: -1.442
local terms energy: -79.453293
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -215.683316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.683316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.683316 (E_RNA)
where:
Base-Base interactions energy: -147.345
where: short stacking energy: -60.815
Base-Backbone interact. energy: 0.306
local terms energy: -68.644086
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -213.429246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.429246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.429246 (E_RNA)
where:
Base-Base interactions energy: -145.148
where: short stacking energy: -67.249
Base-Backbone interact. energy: -1.372
local terms energy: -66.908711
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -209.200727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.200727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.200727 (E_RNA)
where:
Base-Base interactions energy: -138.727
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.211
local terms energy: -70.262970
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -165.842823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.842823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.842823 (E_RNA)
where:
Base-Base interactions energy: -113.383
where: short stacking energy: -49.521
Base-Backbone interact. energy: 2.758
local terms energy: -55.218052
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -8.061
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.172
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: 7, replica: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -177.496409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.496409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.496409 (E_RNA)
where:
Base-Base interactions energy: -108.328
where: short stacking energy: -52.731
Base-Backbone interact. energy: -0.115
local terms energy: -69.053858
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -86.946782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.946782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.946782 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -27.284
Base-Backbone interact. energy: -1.044
local terms energy: -55.765702
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -3.851
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: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -94.626451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.626451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.626451 (E_RNA)
where:
Base-Base interactions energy: -41.192
where: short stacking energy: -39.500
Base-Backbone interact. energy: -0.044
local terms energy: -53.389826
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -7.982
flat angles P-C4'-P energy: -6.505
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: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -78.964895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.964895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.964895 (E_RNA)
where:
Base-Base interactions energy: -28.844
where: short stacking energy: -24.875
Base-Backbone interact. energy: 0.741
local terms energy: -50.861648
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: 0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -224.678604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.678604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.678604 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -70.700
Base-Backbone interact. energy: -0.754
local terms energy: -77.312467
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -19.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -232.278387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.278387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.278387 (E_RNA)
where:
Base-Base interactions energy: -156.070
where: short stacking energy: -76.797
Base-Backbone interact. energy: -0.157
local terms energy: -76.051310
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -21.033
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: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -215.840721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.840721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840721 (E_RNA)
where:
Base-Base interactions energy: -138.080
where: short stacking energy: -68.996
Base-Backbone interact. energy: -1.060
local terms energy: -76.700773
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -224.524393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.524393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.524393 (E_RNA)
where:
Base-Base interactions energy: -149.871
where: short stacking energy: -65.224
Base-Backbone interact. energy: 0.100
local terms energy: -74.753210
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -21.520
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: 184
Temperature: 1.100000
Total energy: -212.100723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.100723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.100723 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.078
local terms energy: -68.926553
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -176.732746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.732746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.732746 (E_RNA)
where:
Base-Base interactions energy: -115.825
where: short stacking energy: -57.210
Base-Backbone interact. energy: -0.173
local terms energy: -60.734455
where:
bonds (distance) C4'-P energy: -7.553
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -161.146568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.146568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.146568 (E_RNA)
where:
Base-Base interactions energy: -105.097
where: short stacking energy: -41.477
Base-Backbone interact. energy: -0.112
local terms energy: -55.937829
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -84.241355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.241355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.241355 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.131
local terms energy: -53.185430
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -84.853283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853283 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -26.023
Base-Backbone interact. energy: -0.061
local terms energy: -50.256079
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -78.382948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.382948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.382948 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -29.743
Base-Backbone interact. energy: -0.267
local terms energy: -42.435564
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -230.818904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.818904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.818904 (E_RNA)
where:
Base-Base interactions energy: -150.449
where: short stacking energy: -77.937
Base-Backbone interact. energy: -0.548
local terms energy: -79.822770
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -22.651
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: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -232.937785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.937785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.937785 (E_RNA)
where:
Base-Base interactions energy: -146.228
where: short stacking energy: -71.673
Base-Backbone interact. energy: -0.039
local terms energy: -86.671094
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -211.588300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.588300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.588300 (E_RNA)
where:
Base-Base interactions energy: -138.572
where: short stacking energy: -61.101
Base-Backbone interact. energy: -1.833
local terms energy: -71.183134
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -8.025
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: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -225.892208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.892208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.892208 (E_RNA)
where:
Base-Base interactions energy: -154.187
where: short stacking energy: -71.055
Base-Backbone interact. energy: -0.012
local terms energy: -71.693015
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -210.128892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.128892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.128892 (E_RNA)
where:
Base-Base interactions energy: -137.460
where: short stacking energy: -59.686
Base-Backbone interact. energy: -0.003
local terms energy: -72.666068
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -169.138109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.138109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.138109 (E_RNA)
where:
Base-Base interactions energy: -106.909
where: short stacking energy: -48.021
Base-Backbone interact. energy: -0.242
local terms energy: -61.987071
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -199.627817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.627817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.627817 (E_RNA)
where:
Base-Base interactions energy: -135.976
where: short stacking energy: -62.542
Base-Backbone interact. energy: -0.577
local terms energy: -63.074571
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -4.140
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: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -87.051817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.051817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.051817 (E_RNA)
where:
Base-Base interactions energy: -37.499
where: short stacking energy: -37.499
Base-Backbone interact. energy: -0.004
local terms energy: -49.549466
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -8.696
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: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -73.505705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.505705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.505705 (E_RNA)
where:
Base-Base interactions energy: -24.540
where: short stacking energy: -23.998
Base-Backbone interact. energy: -0.118
local terms energy: -48.847438
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -0.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -93.113214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.113214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.113214 (E_RNA)
where:
Base-Base interactions energy: -42.123
where: short stacking energy: -17.556
Base-Backbone interact. energy: -0.052
local terms energy: -50.938382
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -4.295
tors. eta vs tors. theta energy: 2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -229.393967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.393967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.393967 (E_RNA)
where:
Base-Base interactions energy: -149.668
where: short stacking energy: -75.542
Base-Backbone interact. energy: -0.857
local terms energy: -78.868951
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -233.512580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.512580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.512580 (E_RNA)
where:
Base-Base interactions energy: -154.893
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.077
local terms energy: -78.541927
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -21.258
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: 186
Temperature: 1.000000
Total energy: -224.515531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.515531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.515531 (E_RNA)
where:
Base-Base interactions energy: -149.711
where: short stacking energy: -64.781
Base-Backbone interact. energy: -0.003
local terms energy: -74.801357
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -216.860458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.860458 (E_RNA)
where:
Base-Base interactions energy: -142.446
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.007
local terms energy: -74.407897
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -208.558849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.558849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.558849 (E_RNA)
where:
Base-Base interactions energy: -138.233
where: short stacking energy: -67.203
Base-Backbone interact. energy: -0.471
local terms energy: -69.854110
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -11.057
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: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -164.044813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.044813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.044813 (E_RNA)
where:
Base-Base interactions energy: -99.256
where: short stacking energy: -47.384
Base-Backbone interact. energy: -0.148
local terms energy: -64.640575
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -201.488800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.488800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.488800 (E_RNA)
where:
Base-Base interactions energy: -131.301
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.220
local terms energy: -69.967571
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -7.386
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: 8, replica: 8
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -98.528324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.528324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.528324 (E_RNA)
where:
Base-Base interactions energy: -44.852
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.030
local terms energy: -53.645695
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -83.148100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.148100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.148100 (E_RNA)
where:
Base-Base interactions energy: -32.324
where: short stacking energy: -13.661
Base-Backbone interact. energy: 0.591
local terms energy: -51.414683
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: 0.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -80.166199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.166199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.166199 (E_RNA)
where:
Base-Base interactions energy: -32.234
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.461
local terms energy: -47.470863
where:
bonds (distance) C4'-P energy: -4.515
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -228.080612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.080612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.080612 (E_RNA)
where:
Base-Base interactions energy: -149.638
where: short stacking energy: -65.245
Base-Backbone interact. energy: -0.084
local terms energy: -78.358613
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -239.571021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.571021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.571021 (E_RNA)
where:
Base-Base interactions energy: -159.781
where: short stacking energy: -79.296
Base-Backbone interact. energy: -0.015
local terms energy: -79.775572
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -23.766
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: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -237.238234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.238234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.238234 (E_RNA)
where:
Base-Base interactions energy: -156.264
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.013
local terms energy: -80.961074
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -215.378118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.378118 (E_RNA)
where:
Base-Base interactions energy: -146.923
where: short stacking energy: -71.450
Base-Backbone interact. energy: 0.352
local terms energy: -68.807335
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -207.434242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.434242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.434242 (E_RNA)
where:
Base-Base interactions energy: -139.577
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.103
local terms energy: -67.753606
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -9.045
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: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -214.729796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.729796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.729796 (E_RNA)
where:
Base-Base interactions energy: -142.966
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.011
local terms energy: -71.752829
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -172.453806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.453806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.453806 (E_RNA)
where:
Base-Base interactions energy: -103.502
where: short stacking energy: -54.179
Base-Backbone interact. energy: -0.001
local terms energy: -68.951371
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -96.961270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.961270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.961270 (E_RNA)
where:
Base-Base interactions energy: -44.019
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.019
local terms energy: -52.922523
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -6.605
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: 9, replica: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -87.675449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.675449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.675449 (E_RNA)
where:
Base-Base interactions energy: -35.385
where: short stacking energy: -35.385
Base-Backbone interact. energy: 0.145
local terms energy: -52.435059
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -89.958143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.958143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.958143 (E_RNA)
where:
Base-Base interactions energy: -38.444
where: short stacking energy: -34.086
Base-Backbone interact. energy: -0.112
local terms energy: -51.401682
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -231.077648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.077648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.077648 (E_RNA)
where:
Base-Base interactions energy: -152.471
where: short stacking energy: -76.364
Base-Backbone interact. energy: -0.678
local terms energy: -77.928001
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -22.521
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: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -227.743455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.743455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.743455 (E_RNA)
where:
Base-Base interactions energy: -148.967
where: short stacking energy: -74.208
Base-Backbone interact. energy: -0.000
local terms energy: -78.776314
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -229.027138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.027138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.027138 (E_RNA)
where:
Base-Base interactions energy: -154.723
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.012
local terms energy: -74.291296
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -21.531
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: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -208.481557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.481557 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -67.542
Base-Backbone interact. energy: -1.265
local terms energy: -66.380315
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.486
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: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -216.743237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.743237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.743237 (E_RNA)
where:
Base-Base interactions energy: -145.517
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.162
local terms energy: -71.064401
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -201.279534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.279534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.279534 (E_RNA)
where:
Base-Base interactions energy: -134.936
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.060
local terms energy: -66.284102
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -181.040244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.040244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.040244 (E_RNA)
where:
Base-Base interactions energy: -113.016
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.112
local terms energy: -67.912465
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -118.771185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.771185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.771185 (E_RNA)
where:
Base-Base interactions energy: -63.137
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.131
local terms energy: -55.503137
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -7.475
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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -83.445614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445614 (E_RNA)
where:
Base-Base interactions energy: -32.418
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.125
local terms energy: -50.902508
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -5.303
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -77.036848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.036848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.036848 (E_RNA)
where:
Base-Base interactions energy: -32.163
where: short stacking energy: -32.163
Base-Backbone interact. energy: -0.017
local terms energy: -44.856801
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -5.577
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -231.379133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.379133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.379133 (E_RNA)
where:
Base-Base interactions energy: -153.738
where: short stacking energy: -67.714
Base-Backbone interact. energy: -0.488
local terms energy: -77.153674
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -230.681447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.681447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.681447 (E_RNA)
where:
Base-Base interactions energy: -156.646
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.021
local terms energy: -74.014344
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -226.001155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.001155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.001155 (E_RNA)
where:
Base-Base interactions energy: -148.715
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.217
local terms energy: -77.068867
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -23.120
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: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -219.459934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.459934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.459934 (E_RNA)
where:
Base-Base interactions energy: -149.603
where: short stacking energy: -71.481
Base-Backbone interact. energy: 0.833
local terms energy: -70.689348
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -221.506397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.506397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.506397 (E_RNA)
where:
Base-Base interactions energy: -159.607
where: short stacking energy: -72.306
Base-Backbone interact. energy: -0.410
local terms energy: -61.488783
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -9.043
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -11.847
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: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -175.028379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.028379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.028379 (E_RNA)
where:
Base-Base interactions energy: -106.270
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.011
local terms energy: -68.747083
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -159.379415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.379415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.379415 (E_RNA)
where:
Base-Base interactions energy: -103.268
where: short stacking energy: -47.213
Base-Backbone interact. energy: -0.373
local terms energy: -55.738831
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -104.580288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.580288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.580288 (E_RNA)
where:
Base-Base interactions energy: -58.179
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.173
local terms energy: -46.227998
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -82.476882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.476882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.476882 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -29.637
Base-Backbone interact. energy: -0.081
local terms energy: -52.759510
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -78.829186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.829186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.829186 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -20.257
Base-Backbone interact. energy: -0.206
local terms energy: -49.353755
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -9.979
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -237.902319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.902319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.902319 (E_RNA)
where:
Base-Base interactions energy: -162.073
where: short stacking energy: -73.454
Base-Backbone interact. energy: -0.388
local terms energy: -75.441196
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -220.219853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.219853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.219853 (E_RNA)
where:
Base-Base interactions energy: -146.768
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.005
local terms energy: -73.446343
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -8.434
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -217.952716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.952716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.952716 (E_RNA)
where:
Base-Base interactions energy: -139.700
where: short stacking energy: -66.143
Base-Backbone interact. energy: -1.037
local terms energy: -77.215552
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -222.989750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.989750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.989750 (E_RNA)
where:
Base-Base interactions energy: -151.461
where: short stacking energy: -72.048
Base-Backbone interact. energy: -0.010
local terms energy: -71.518638
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -216.466140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.466140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.466140 (E_RNA)
where:
Base-Base interactions energy: -146.526
where: short stacking energy: -64.201
Base-Backbone interact. energy: -0.015
local terms energy: -69.924507
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -202.700415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.700415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.700415 (E_RNA)
where:
Base-Base interactions energy: -134.842
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.918
local terms energy: -66.940640
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -12.818
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: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -91.305602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.305602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.305602 (E_RNA)
where:
Base-Base interactions energy: -41.320
where: short stacking energy: -25.590
Base-Backbone interact. energy: -0.263
local terms energy: -49.722198
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -172.952353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.952353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.952353 (E_RNA)
where:
Base-Base interactions energy: -120.754
where: short stacking energy: -54.024
Base-Backbone interact. energy: -0.101
local terms energy: -52.097586
where:
bonds (distance) C4'-P energy: -6.092
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -4.436
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: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -87.861546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.861546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.861546 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -28.993
Base-Backbone interact. energy: -0.004
local terms energy: -54.297014
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -8.892
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -73.458002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.458002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.458002 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.185
local terms energy: -41.153005
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -239.722553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.722553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.722553 (E_RNA)
where:
Base-Base interactions energy: -162.337
where: short stacking energy: -78.123
Base-Backbone interact. energy: -0.075
local terms energy: -77.310765
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -12.888
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: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -226.248992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.248992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.248992 (E_RNA)
where:
Base-Base interactions energy: -150.073
where: short stacking energy: -70.909
Base-Backbone interact. energy: -0.567
local terms energy: -75.608765
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -221.337425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.337425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.337425 (E_RNA)
where:
Base-Base interactions energy: -147.348
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.037
local terms energy: -73.952788
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -20.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -226.717324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.717324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.717324 (E_RNA)
where:
Base-Base interactions energy: -154.073
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.018
local terms energy: -72.626614
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.396
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: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -219.664685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.664685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.664685 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.057
local terms energy: -72.426480
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -217.184142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.184142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.184142 (E_RNA)
where:
Base-Base interactions energy: -148.597
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.020
local terms energy: -68.567046
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -112.456863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.456863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.456863 (E_RNA)
where:
Base-Base interactions energy: -55.222
where: short stacking energy: -34.308
Base-Backbone interact. energy: -0.039
local terms energy: -57.196316
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -98.016760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.016760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.016760 (E_RNA)
where:
Base-Base interactions energy: -47.116
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.191
local terms energy: -50.709901
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -8.194
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: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -176.854792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.854792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.854792 (E_RNA)
where:
Base-Base interactions energy: -113.925
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.009
local terms energy: -62.920085
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -74.915447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.915447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.915447 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -29.153
Base-Backbone interact. energy: -0.148
local terms energy: -45.613907
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -237.947521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.947521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.947521 (E_RNA)
where:
Base-Base interactions energy: -158.744
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.215
local terms energy: -78.988426
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -229.796600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.796600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.796600 (E_RNA)
where:
Base-Base interactions energy: -145.075
where: short stacking energy: -69.663
Base-Backbone interact. energy: -0.475
local terms energy: -84.247109
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -12.019
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: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -225.942801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.942801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.942801 (E_RNA)
where:
Base-Base interactions energy: -152.269
where: short stacking energy: -66.659
Base-Backbone interact. energy: -0.102
local terms energy: -73.571363
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -220.298951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.298951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.298951 (E_RNA)
where:
Base-Base interactions energy: -141.182
where: short stacking energy: -64.243
Base-Backbone interact. energy: -1.576
local terms energy: -77.540712
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -211.965722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.965722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.965722 (E_RNA)
where:
Base-Base interactions energy: -140.087
where: short stacking energy: -62.369
Base-Backbone interact. energy: 1.126
local terms energy: -73.004312
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -207.442660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.442660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.442660 (E_RNA)
where:
Base-Base interactions energy: -141.076
where: short stacking energy: -63.538
Base-Backbone interact. energy: -0.029
local terms energy: -66.337841
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -102.215731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.215731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.215731 (E_RNA)
where:
Base-Base interactions energy: -47.167
where: short stacking energy: -39.793
Base-Backbone interact. energy: -0.134
local terms energy: -54.914306
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -108.693129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.693129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.693129 (E_RNA)
where:
Base-Base interactions energy: -56.059
where: short stacking energy: -32.226
Base-Backbone interact. energy: 0.805
local terms energy: -53.439382
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -6.485
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: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -82.728291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.728291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.728291 (E_RNA)
where:
Base-Base interactions energy: -28.468
where: short stacking energy: -28.468
Base-Backbone interact. energy: 0.640
local terms energy: -54.900150
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -6.530
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: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -179.380943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.380943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.380943 (E_RNA)
where:
Base-Base interactions energy: -118.731
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.195
local terms energy: -60.454611
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -238.587198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.587198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.587198 (E_RNA)
where:
Base-Base interactions energy: -158.662
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.022
local terms energy: -79.902745
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -20.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -225.643253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.643253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.643253 (E_RNA)
where:
Base-Base interactions energy: -146.928
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.055
local terms energy: -78.660364
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -21.244
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: 193
Temperature: 1.000000
Total energy: -216.124438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.124438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.124438 (E_RNA)
where:
Base-Base interactions energy: -144.908
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.948
local terms energy: -70.268811
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -17.743
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: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -221.193306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.193306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.193306 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -67.305
Base-Backbone interact. energy: -1.825
local terms energy: -77.037120
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -219.920088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.920088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.920088 (E_RNA)
where:
Base-Base interactions energy: -142.817
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.344
local terms energy: -76.759447
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -205.158058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.158058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.158058 (E_RNA)
where:
Base-Base interactions energy: -132.062
where: short stacking energy: -54.886
Base-Backbone interact. energy: -0.549
local terms energy: -72.546776
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -17.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -96.377857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.377857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.377857 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -42.076
Base-Backbone interact. energy: -0.000
local terms energy: -54.301836
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -6.127
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -91.408762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.408762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.408762 (E_RNA)
where:
Base-Base interactions energy: -34.816
where: short stacking energy: -34.618
Base-Backbone interact. energy: 0.159
local terms energy: -56.751690
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -103.586571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.586571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.586571 (E_RNA)
where:
Base-Base interactions energy: -44.067
where: short stacking energy: -23.009
Base-Backbone interact. energy: -0.184
local terms energy: -59.336397
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -13.025
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: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -85.737525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.737525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.737525 (E_RNA)
where:
Base-Base interactions energy: -31.683
where: short stacking energy: -22.682
Base-Backbone interact. energy: -0.108
local terms energy: -53.946470
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -232.947198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.947198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.947198 (E_RNA)
where:
Base-Base interactions energy: -159.639
where: short stacking energy: -70.908
Base-Backbone interact. energy: -0.276
local terms energy: -73.032003
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -5.836
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: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -226.522067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.522067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.522067 (E_RNA)
where:
Base-Base interactions energy: -151.370
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.017
local terms energy: -75.135373
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -222.483809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.483809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.483809 (E_RNA)
where:
Base-Base interactions energy: -145.663
where: short stacking energy: -66.062
Base-Backbone interact. energy: -0.072
local terms energy: -76.748276
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -208.141864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.141864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.141864 (E_RNA)
where:
Base-Base interactions energy: -147.420
where: short stacking energy: -68.146
Base-Backbone interact. energy: -0.281
local terms energy: -60.440970
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -6.162
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: 5, replica: 2
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -222.677183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.677183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.677183 (E_RNA)
where:
Base-Base interactions energy: -155.466
where: short stacking energy: -69.409
Base-Backbone interact. energy: -0.089
local terms energy: -67.122604
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -217.571443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.571443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.571443 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.021
local terms energy: -78.527111
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -94.173819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.173819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.173819 (E_RNA)
where:
Base-Base interactions energy: -30.570
where: short stacking energy: -30.570
Base-Backbone interact. energy: -0.065
local terms energy: -63.538334
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -5.866
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: 3
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -89.452167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.452167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.452167 (E_RNA)
where:
Base-Base interactions energy: -31.366
where: short stacking energy: -31.366
Base-Backbone interact. energy: -0.100
local terms energy: -57.986270
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -6.893
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: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -99.058134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.058134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.058134 (E_RNA)
where:
Base-Base interactions energy: -48.867
where: short stacking energy: -41.240
Base-Backbone interact. energy: -0.055
local terms energy: -50.135497
where:
bonds (distance) C4'-P energy: -2.718
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -8.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -78.600893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.600893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.600893 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -18.091
Base-Backbone interact. energy: -0.256
local terms energy: -46.412099
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -234.914697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.914697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.914697 (E_RNA)
where:
Base-Base interactions energy: -158.755
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.004
local terms energy: -76.156497
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -18.753
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -221.688345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.688345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.688345 (E_RNA)
where:
Base-Base interactions energy: -154.637
where: short stacking energy: -69.507
Base-Backbone interact. energy: -1.420
local terms energy: -65.631372
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.085
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: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -231.890836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.890836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.890836 (E_RNA)
where:
Base-Base interactions energy: -149.574
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.728
local terms energy: -81.588737
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -215.668115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.668115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.668115 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -61.588
Base-Backbone interact. energy: -0.117
local terms energy: -71.766129
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -8.587
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: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -215.995981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.995981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.995981 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -64.180
Base-Backbone interact. energy: -0.017
local terms energy: -70.083597
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -9.171
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: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -202.254173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.254173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.254173 (E_RNA)
where:
Base-Base interactions energy: -140.133
where: short stacking energy: -69.839
Base-Backbone interact. energy: -0.029
local terms energy: -62.092510
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -7.671
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -8.423
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: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -100.594332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.594332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.594332 (E_RNA)
where:
Base-Base interactions energy: -51.408
where: short stacking energy: -37.254
Base-Backbone interact. energy: -0.253
local terms energy: -48.933491
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -7.440
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -101.866181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866181 (E_RNA)
where:
Base-Base interactions energy: -47.840
where: short stacking energy: -19.847
Base-Backbone interact. energy: -0.225
local terms energy: -53.801171
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -88.802129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802129 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -35.256
Base-Backbone interact. energy: -0.148
local terms energy: -53.398145
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -2.563
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: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -80.475193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.475193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.475193 (E_RNA)
where:
Base-Base interactions energy: -33.677
where: short stacking energy: -32.329
Base-Backbone interact. energy: 1.776
local terms energy: -48.573911
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -11.554
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: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -225.713659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.713659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.713659 (E_RNA)
where:
Base-Base interactions energy: -153.020
where: short stacking energy: -73.832
Base-Backbone interact. energy: -0.033
local terms energy: -72.660701
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -21.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -233.214975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.214975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.214975 (E_RNA)
where:
Base-Base interactions energy: -158.259
where: short stacking energy: -76.020
Base-Backbone interact. energy: -0.004
local terms energy: -74.952270
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.022
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: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -224.058038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.058038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.058038 (E_RNA)
where:
Base-Base interactions energy: -149.406
where: short stacking energy: -72.695
Base-Backbone interact. energy: -0.042
local terms energy: -74.610700
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -13.255
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: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -222.442371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.442371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.442371 (E_RNA)
where:
Base-Base interactions energy: -149.871
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.021
local terms energy: -72.550368
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -215.026834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.026834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.026834 (E_RNA)
where:
Base-Base interactions energy: -142.924
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.070
local terms energy: -72.033462
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -7.902
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: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -214.931120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.931120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.931120 (E_RNA)
where:
Base-Base interactions energy: -137.497
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.002
local terms energy: -77.432589
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -23.347
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: 196
Temperature: 1.200000
Total energy: -88.745941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.745941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.745941 (E_RNA)
where:
Base-Base interactions energy: -41.739
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.182
local terms energy: -46.825148
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -99.733381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.733381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.733381 (E_RNA)
where:
Base-Base interactions energy: -42.775
where: short stacking energy: -42.775
Base-Backbone interact. energy: -0.721
local terms energy: -56.237350
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -78.887502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.887502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.887502 (E_RNA)
where:
Base-Base interactions energy: -31.581
where: short stacking energy: -28.215
Base-Backbone interact. energy: -1.444
local terms energy: -45.861586
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -78.626430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.626430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.626430 (E_RNA)
where:
Base-Base interactions energy: -32.608
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.095
local terms energy: -45.923225
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -3.900
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: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -222.075271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.075271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.075271 (E_RNA)
where:
Base-Base interactions energy: -146.222
where: short stacking energy: -68.059
Base-Backbone interact. energy: -1.019
local terms energy: -74.834345
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.575
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: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -227.206667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.206667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.206667 (E_RNA)
where:
Base-Base interactions energy: -151.240
where: short stacking energy: -63.563
Base-Backbone interact. energy: -0.046
local terms energy: -75.921017
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -20.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -229.414063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.414063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.414063 (E_RNA)
where:
Base-Base interactions energy: -153.384
where: short stacking energy: -76.055
Base-Backbone interact. energy: -0.006
local terms energy: -76.023302
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -225.557276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.557276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.557276 (E_RNA)
where:
Base-Base interactions energy: -151.729
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.042
local terms energy: -73.786289
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -217.081242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.081242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.081242 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.520
local terms energy: -71.062315
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -207.824721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.824721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.824721 (E_RNA)
where:
Base-Base interactions energy: -130.495
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.053
local terms energy: -77.277036
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -104.269969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.269969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.269969 (E_RNA)
where:
Base-Base interactions energy: -61.569
where: short stacking energy: -36.795
Base-Backbone interact. energy: -0.330
local terms energy: -42.370359
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -84.197159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.197159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.197159 (E_RNA)
where:
Base-Base interactions energy: -35.455
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.186
local terms energy: -48.557079
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -78.240850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.240850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.240850 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.004
local terms energy: -41.692130
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -7.231
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -7.177
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: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -75.778589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.778589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.778589 (E_RNA)
where:
Base-Base interactions energy: -37.575
where: short stacking energy: -11.864
Base-Backbone interact. energy: 1.708
local terms energy: -39.911654
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: 6.264
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: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -231.323141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.323141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.323141 (E_RNA)
where:
Base-Base interactions energy: -154.569
where: short stacking energy: -70.694
Base-Backbone interact. energy: -0.005
local terms energy: -76.749736
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -11.682
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: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -223.169107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.169107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.169107 (E_RNA)
where:
Base-Base interactions energy: -145.362
where: short stacking energy: -70.784
Base-Backbone interact. energy: -1.353
local terms energy: -76.454201
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -227.541869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.541869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.541869 (E_RNA)
where:
Base-Base interactions energy: -154.634
where: short stacking energy: -67.821
Base-Backbone interact. energy: 0.778
local terms energy: -73.686253
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -220.577178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.577178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.577178 (E_RNA)
where:
Base-Base interactions energy: -145.902
where: short stacking energy: -71.612
Base-Backbone interact. energy: -0.032
local terms energy: -74.642825
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.107
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: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -209.322188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.322188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.322188 (E_RNA)
where:
Base-Base interactions energy: -141.718
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.610
local terms energy: -66.994429
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -7.007
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -211.902932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.902932 (E_RNA)
where:
Base-Base interactions energy: -144.625
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.058
local terms energy: -67.220107
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -134.155045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.155045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.155045 (E_RNA)
where:
Base-Base interactions energy: -79.152
where: short stacking energy: -34.457
Base-Backbone interact. energy: -0.084
local terms energy: -54.918968
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -93.614526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.614526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.614526 (E_RNA)
where:
Base-Base interactions energy: -44.485
where: short stacking energy: -42.032
Base-Backbone interact. energy: -0.001
local terms energy: -49.128030
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -4.205
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -80.931911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.931911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.931911 (E_RNA)
where:
Base-Base interactions energy: -31.560
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.071
local terms energy: -49.301012
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -83.579116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579116 (E_RNA)
where:
Base-Base interactions energy: -23.124
where: short stacking energy: -23.124
Base-Backbone interact. energy: 1.337
local terms energy: -61.791627
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -13.999
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: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -229.213529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.213529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.213529 (E_RNA)
where:
Base-Base interactions energy: -157.966
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.060
local terms energy: -71.187946
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -23.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -233.281034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.281034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.281034 (E_RNA)
where:
Base-Base interactions energy: -150.986
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.334
local terms energy: -81.960750
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -222.484818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.484818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.484818 (E_RNA)
where:
Base-Base interactions energy: -146.130
where: short stacking energy: -69.500
Base-Backbone interact. energy: -1.079
local terms energy: -75.275957
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.347
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: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -217.677696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.677696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.677696 (E_RNA)
where:
Base-Base interactions energy: -144.594
where: short stacking energy: -73.805
Base-Backbone interact. energy: -0.002
local terms energy: -73.082027
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -202.257094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.257094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.257094 (E_RNA)
where:
Base-Base interactions energy: -139.938
where: short stacking energy: -58.549
Base-Backbone interact. energy: -0.388
local terms energy: -61.931642
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -220.159761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.159761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.159761 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.126
local terms energy: -70.307148
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -170.689173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.689173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.689173 (E_RNA)
where:
Base-Base interactions energy: -110.824
where: short stacking energy: -56.074
Base-Backbone interact. energy: 0.548
local terms energy: -60.413679
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -7.613
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: 8, replica: 3
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -97.193706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.193706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.193706 (E_RNA)
where:
Base-Base interactions energy: -40.802
where: short stacking energy: -35.986
Base-Backbone interact. energy: -0.161
local terms energy: -56.229970
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -83.433330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.433330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.433330 (E_RNA)
where:
Base-Base interactions energy: -31.968
where: short stacking energy: -31.968
Base-Backbone interact. energy: -0.167
local terms energy: -51.298427
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -2.886
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: 199
Temperature: 1.350000
Total energy: -77.873135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.873135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.873135 (E_RNA)
where:
Base-Base interactions energy: -34.651
where: short stacking energy: -24.493
Base-Backbone interact. energy: 1.397
local terms energy: -44.619182
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -236.883909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.883909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.883909 (E_RNA)
where:
Base-Base interactions energy: -158.238
where: short stacking energy: -76.857
Base-Backbone interact. energy: 0.100
local terms energy: -78.746240
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -11.182
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: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -226.126960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.126960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.126960 (E_RNA)
where:
Base-Base interactions energy: -152.712
where: short stacking energy: -75.591
Base-Backbone interact. energy: -0.057
local terms energy: -73.357480
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -225.527621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.527621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.527621 (E_RNA)
where:
Base-Base interactions energy: -149.128
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.495
local terms energy: -75.904100
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -218.941159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.941159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.941159 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -66.547
Base-Backbone interact. energy: -1.273
local terms energy: -82.412291
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -12.227
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: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -217.677764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.677764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.677764 (E_RNA)
where:
Base-Base interactions energy: -142.035
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.258
local terms energy: -75.385461
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -19.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -207.619268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.619268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.619268 (E_RNA)
where:
Base-Base interactions energy: -135.209
where: short stacking energy: -63.009
Base-Backbone interact. energy: -0.181
local terms energy: -72.228929
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -195.290774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.290774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.290774 (E_RNA)
where:
Base-Base interactions energy: -133.715
where: short stacking energy: -55.707
Base-Backbone interact. energy: -0.333
local terms energy: -61.243028
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -84.739796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.739796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.739796 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -26.407
Base-Backbone interact. energy: -1.529
local terms energy: -51.877492
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -9.352
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: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -101.613158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.613158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.613158 (E_RNA)
where:
Base-Base interactions energy: -56.505
where: short stacking energy: -32.339
Base-Backbone interact. energy: -0.163
local terms energy: -44.944631
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -82.019294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.019294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.019294 (E_RNA)
where:
Base-Base interactions energy: -27.293
where: short stacking energy: -19.350
Base-Backbone interact. energy: -0.037
local terms energy: -54.689595
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -11.588
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: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -237.940686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.940686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.940686 (E_RNA)
where:
Base-Base interactions energy: -159.749
where: short stacking energy: -79.627
Base-Backbone interact. energy: -0.173
local terms energy: -78.018778
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -233.515111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.515111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.515111 (E_RNA)
where:
Base-Base interactions energy: -159.063
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.158
local terms energy: -74.294688
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -231.391559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.391559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.391559 (E_RNA)
where:
Base-Base interactions energy: -150.703
where: short stacking energy: -71.891
Base-Backbone interact. energy: -1.295
local terms energy: -79.393178
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -10.782
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: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -224.175586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.175586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.175586 (E_RNA)
where:
Base-Base interactions energy: -145.326
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.000
local terms energy: -78.849676
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -214.744498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.744498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.744498 (E_RNA)
where:
Base-Base interactions energy: -143.253
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.683
local terms energy: -70.808418
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -213.993163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.993163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.993163 (E_RNA)
where:
Base-Base interactions energy: -141.549
where: short stacking energy: -61.462
Base-Backbone interact. energy: -1.045
local terms energy: -71.399332
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -18.414
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: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -214.794582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.794582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.794582 (E_RNA)
where:
Base-Base interactions energy: -146.276
where: short stacking energy: -71.387
Base-Backbone interact. energy: -0.800
local terms energy: -67.717988
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -118.076360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.076360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.076360 (E_RNA)
where:
Base-Base interactions energy: -67.178
where: short stacking energy: -36.298
Base-Backbone interact. energy: 0.332
local terms energy: -51.230801
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -6.623
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: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -82.849194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.849194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.849194 (E_RNA)
where:
Base-Base interactions energy: -35.905
where: short stacking energy: -31.281
Base-Backbone interact. energy: -0.070
local terms energy: -46.874056
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -3.972
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -86.357933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.357933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.357933 (E_RNA)
where:
Base-Base interactions energy: -34.142
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.055
local terms energy: -52.161425
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -5.463
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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -234.882149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.882149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.882149 (E_RNA)
where:
Base-Base interactions energy: -158.321
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.046
local terms energy: -76.515136
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -21.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -234.459319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.459319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.459319 (E_RNA)
where:
Base-Base interactions energy: -157.032
where: short stacking energy: -74.363
Base-Backbone interact. energy: -0.014
local terms energy: -77.413605
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -230.780191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.780191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.780191 (E_RNA)
where:
Base-Base interactions energy: -156.903
where: short stacking energy: -69.496
Base-Backbone interact. energy: -0.284
local terms energy: -73.593646
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.285
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: 4, replica: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -215.751900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.751900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.751900 (E_RNA)
where:
Base-Base interactions energy: -143.441
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.107
local terms energy: -72.203863
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -214.084394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.084394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.084394 (E_RNA)
where:
Base-Base interactions energy: -141.696
where: short stacking energy: -61.022
Base-Backbone interact. energy: -0.649
local terms energy: -71.739553
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -194.621649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.621649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.621649 (E_RNA)
where:
Base-Base interactions energy: -132.449
where: short stacking energy: -55.074
Base-Backbone interact. energy: -0.541
local terms energy: -61.631827
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -8.247
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -203.320058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.320058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.320058 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -58.787
Base-Backbone interact. energy: -0.221
local terms energy: -71.381153
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -10.182
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: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -93.657580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.657580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.657580 (E_RNA)
where:
Base-Base interactions energy: -46.362
where: short stacking energy: -27.170
Base-Backbone interact. energy: 0.045
local terms energy: -47.340809
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.605017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.605017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.605017 (E_RNA)
where:
Base-Base interactions energy: -36.062
where: short stacking energy: -31.199
Base-Backbone interact. energy: -0.390
local terms energy: -52.152399
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -8.686
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: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -75.999632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.999632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.999632 (E_RNA)
where:
Base-Base interactions energy: -33.393
where: short stacking energy: -19.214
Base-Backbone interact. energy: -0.192
local terms energy: -42.415297
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -236.173366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.173366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.173366 (E_RNA)
where:
Base-Base interactions energy: -156.530
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.006
local terms energy: -79.636971
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -235.166980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.166980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.166980 (E_RNA)
where:
Base-Base interactions energy: -151.788
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.064
local terms energy: -83.315244
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -21.870
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: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -226.020064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.020064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.020064 (E_RNA)
where:
Base-Base interactions energy: -149.635
where: short stacking energy: -72.874
Base-Backbone interact. energy: -0.085
local terms energy: -76.299873
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -216.704966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.704966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.704966 (E_RNA)
where:
Base-Base interactions energy: -144.985
where: short stacking energy: -65.061
Base-Backbone interact. energy: -0.807
local terms energy: -70.912328
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -22.135
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -211.421187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.421187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.421187 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.001
local terms energy: -65.962863
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -7.384
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: 6, replica: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -210.512011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.512011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.512011 (E_RNA)
where:
Base-Base interactions energy: -137.909
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.714
local terms energy: -71.889066
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -18.551
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: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -202.590218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.590218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.590218 (E_RNA)
where:
Base-Base interactions energy: -138.683
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.012
local terms energy: -63.895993
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -19.959
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: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -76.845521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.845521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.845521 (E_RNA)
where:
Base-Base interactions energy: -29.254
where: short stacking energy: -28.280
Base-Backbone interact. energy: -0.190
local terms energy: -47.402147
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -9.030
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: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -84.456104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.456104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.456104 (E_RNA)
where:
Base-Base interactions energy: -34.995
where: short stacking energy: -31.353
Base-Backbone interact. energy: -0.728
local terms energy: -48.733167
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -95.806380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.806380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.806380 (E_RNA)
where:
Base-Base interactions energy: -49.416
where: short stacking energy: -24.361
Base-Backbone interact. energy: -0.137
local terms energy: -46.252994
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -235.424762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.424762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.424762 (E_RNA)
where:
Base-Base interactions energy: -157.559
where: short stacking energy: -74.275
Base-Backbone interact. energy: -0.570
local terms energy: -77.296064
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -225.273319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.273319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.273319 (E_RNA)
where:
Base-Base interactions energy: -146.580
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.449
local terms energy: -78.244363
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -235.921475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.921475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.921475 (E_RNA)
where:
Base-Base interactions energy: -152.537
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.069
local terms energy: -83.315150
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -23.197
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: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -217.374840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.374840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.374840 (E_RNA)
where:
Base-Base interactions energy: -142.823
where: short stacking energy: -68.099
Base-Backbone interact. energy: -1.409
local terms energy: -73.142749
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -208.793777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.793777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.793777 (E_RNA)
where:
Base-Base interactions energy: -141.256
where: short stacking energy: -59.924
Base-Backbone interact. energy: -1.008
local terms energy: -66.529952
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -214.414290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.414290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.414290 (E_RNA)
where:
Base-Base interactions energy: -138.957
where: short stacking energy: -73.075
Base-Backbone interact. energy: -0.069
local terms energy: -75.388417
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -212.591946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.591946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.591946 (E_RNA)
where:
Base-Base interactions energy: -143.422
where: short stacking energy: -63.196
Base-Backbone interact. energy: -0.362
local terms energy: -68.808206
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -95.866315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866315 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -39.145
Base-Backbone interact. energy: 0.464
local terms energy: -57.161800
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -97.822693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.822693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.822693 (E_RNA)
where:
Base-Base interactions energy: -43.715
where: short stacking energy: -32.318
Base-Backbone interact. energy: -0.005
local terms energy: -54.103146
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -70.892486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.892486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.892486 (E_RNA)
where:
Base-Base interactions energy: -25.758
where: short stacking energy: -12.590
Base-Backbone interact. energy: -0.325
local terms energy: -44.809760
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -232.085511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.085511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.085511 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.019
local terms energy: -81.990900
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -12.428
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: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -230.620586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.620586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.620586 (E_RNA)
where:
Base-Base interactions energy: -152.192
where: short stacking energy: -73.363
Base-Backbone interact. energy: 0.940
local terms energy: -79.368278
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -12.309
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: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -226.519680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.519680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.519680 (E_RNA)
where:
Base-Base interactions energy: -149.236
where: short stacking energy: -69.064
Base-Backbone interact. energy: -0.000
local terms energy: -77.282951
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -214.670259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.670259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.670259 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -65.728
Base-Backbone interact. energy: -0.003
local terms energy: -74.124962
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -214.171525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.171525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.171525 (E_RNA)
where:
Base-Base interactions energy: -139.446
where: short stacking energy: -61.027
Base-Backbone interact. energy: -0.237
local terms energy: -74.488379
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -185.786398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.786398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.786398 (E_RNA)
where:
Base-Base interactions energy: -120.910
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.363
local terms energy: -64.512833
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -210.215395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.215395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.215395 (E_RNA)
where:
Base-Base interactions energy: -137.634
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.007
local terms energy: -72.574502
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -7.165
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: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -106.925022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.925022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.925022 (E_RNA)
where:
Base-Base interactions energy: -64.840
where: short stacking energy: -39.970
Base-Backbone interact. energy: -0.233
local terms energy: -41.851692
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -6.738
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -80.326075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.326075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.326075 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -25.941
Base-Backbone interact. energy: -0.033
local terms energy: -49.407079
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -6.086
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -83.147658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147658 (E_RNA)
where:
Base-Base interactions energy: -32.793
where: short stacking energy: -30.503
Base-Backbone interact. energy: -0.152
local terms energy: -50.202342
where:
bonds (distance) C4'-P energy: -6.733
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -234.266959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.266959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.266959 (E_RNA)
where:
Base-Base interactions energy: -157.760
where: short stacking energy: -69.068
Base-Backbone interact. energy: -0.001
local terms energy: -76.505884
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -232.226592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.226592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.226592 (E_RNA)
where:
Base-Base interactions energy: -153.368
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.001
local terms energy: -78.857681
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -21.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -222.229767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.229767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.229767 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -65.041
Base-Backbone interact. energy: -1.871
local terms energy: -76.574069
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -17.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -217.469804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.469804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.469804 (E_RNA)
where:
Base-Base interactions energy: -149.430
where: short stacking energy: -66.696
Base-Backbone interact. energy: -0.661
local terms energy: -67.378833
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -203.415331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.415331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.415331 (E_RNA)
where:
Base-Base interactions energy: -131.041
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.355
local terms energy: -72.018870
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -207.805884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.805884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.805884 (E_RNA)
where:
Base-Base interactions energy: -143.344
where: short stacking energy: -67.512
Base-Backbone interact. energy: 1.022
local terms energy: -65.484134
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -16.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -193.233223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.233223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.233223 (E_RNA)
where:
Base-Base interactions energy: -126.823
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.142
local terms energy: -66.268337
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -90.200414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.200414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.200414 (E_RNA)
where:
Base-Base interactions energy: -32.355
where: short stacking energy: -28.784
Base-Backbone interact. energy: 0.043
local terms energy: -57.888175
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -9.780
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: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -85.314102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.314102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.314102 (E_RNA)
where:
Base-Base interactions energy: -42.435
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.055
local terms energy: -42.824019
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: 0.973
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: 10, replica: 7
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -77.971768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.971768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.971768 (E_RNA)
where:
Base-Base interactions energy: -28.839
where: short stacking energy: -16.241
Base-Backbone interact. energy: -0.243
local terms energy: -48.890117
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: 4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -236.780606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.780606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.780606 (E_RNA)
where:
Base-Base interactions energy: -158.474
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.435
local terms energy: -77.872242
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -229.428059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.428059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.428059 (E_RNA)
where:
Base-Base interactions energy: -154.203
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.445
local terms energy: -74.779976
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -226.391576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.391576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.391576 (E_RNA)
where:
Base-Base interactions energy: -150.473
where: short stacking energy: -74.098
Base-Backbone interact. energy: -0.008
local terms energy: -75.911174
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -20.334
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: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -227.418432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.418432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.418432 (E_RNA)
where:
Base-Base interactions energy: -151.625
where: short stacking energy: -70.827
Base-Backbone interact. energy: -0.000
local terms energy: -75.792679
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -210.817786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.817786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.817786 (E_RNA)
where:
Base-Base interactions energy: -135.803
where: short stacking energy: -65.983
Base-Backbone interact. energy: 0.073
local terms energy: -75.087624
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -208.831876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.831876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.831876 (E_RNA)
where:
Base-Base interactions energy: -139.831
where: short stacking energy: -60.423
Base-Backbone interact. energy: -0.013
local terms energy: -68.987661
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -189.789273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.789273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.789273 (E_RNA)
where:
Base-Base interactions energy: -126.044
where: short stacking energy: -57.075
Base-Backbone interact. energy: -0.775
local terms energy: -62.969659
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -92.991167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991167 (E_RNA)
where:
Base-Base interactions energy: -46.315
where: short stacking energy: -22.831
Base-Backbone interact. energy: -0.319
local terms energy: -46.357690
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -1.917
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -87.677031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.677031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.677031 (E_RNA)
where:
Base-Base interactions energy: -37.853
where: short stacking energy: -31.775
Base-Backbone interact. energy: -0.127
local terms energy: -49.696974
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -3.269
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: 7
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -106.703512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.703512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.703512 (E_RNA)
where:
Base-Base interactions energy: -57.344
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.660
local terms energy: -48.700213
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -235.220290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.220290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.220290 (E_RNA)
where:
Base-Base interactions energy: -154.629
where: short stacking energy: -73.727
Base-Backbone interact. energy: -0.590
local terms energy: -80.001366
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -228.391152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.391152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.391152 (E_RNA)
where:
Base-Base interactions energy: -156.520
where: short stacking energy: -70.666
Base-Backbone interact. energy: -0.302
local terms energy: -71.568625
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -19.543
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: 3, replica: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -222.312833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.312833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.312833 (E_RNA)
where:
Base-Base interactions energy: -143.714
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.213
local terms energy: -78.385971
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -215.328000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.328000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.328000 (E_RNA)
where:
Base-Base interactions energy: -145.187
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.552
local terms energy: -69.589385
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -204.182796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.182796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182796 (E_RNA)
where:
Base-Base interactions energy: -135.802
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.726
local terms energy: -67.654702
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -219.510743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.510743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.510743 (E_RNA)
where:
Base-Base interactions energy: -149.379
where: short stacking energy: -61.130
Base-Backbone interact. energy: -0.223
local terms energy: -69.908390
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -21.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -195.373626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.373626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.373626 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.119
local terms energy: -67.437801
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -6.615
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -90.709242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.709242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.709242 (E_RNA)
where:
Base-Base interactions energy: -44.627
where: short stacking energy: -35.282
Base-Backbone interact. energy: -0.108
local terms energy: -45.974222
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -85.174528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.174528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.174528 (E_RNA)
where:
Base-Base interactions energy: -37.390
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.388
local terms energy: -47.396422
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -71.678286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.678286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.678286 (E_RNA)
where:
Base-Base interactions energy: -26.139
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.132
local terms energy: -45.407245
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -234.927152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.927152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.927152 (E_RNA)
where:
Base-Base interactions energy: -151.617
where: short stacking energy: -70.626
Base-Backbone interact. energy: -0.158
local terms energy: -83.152293
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -20.044
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: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -222.441614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.441614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.441614 (E_RNA)
where:
Base-Base interactions energy: -149.318
where: short stacking energy: -70.265
Base-Backbone interact. energy: -0.000
local terms energy: -73.123433
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -225.970694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.970694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.970694 (E_RNA)
where:
Base-Base interactions energy: -151.627
where: short stacking energy: -64.737
Base-Backbone interact. energy: -0.021
local terms energy: -74.322861
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -216.244261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.244261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.244261 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.631
local terms energy: -73.441235
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -212.223362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.223362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.223362 (E_RNA)
where:
Base-Base interactions energy: -143.852
where: short stacking energy: -71.211
Base-Backbone interact. energy: 0.854
local terms energy: -69.225072
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -209.372767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.372767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.372767 (E_RNA)
where:
Base-Base interactions energy: -135.590
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.070
local terms energy: -73.712207
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -201.817875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.817875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.817875 (E_RNA)
where:
Base-Base interactions energy: -130.140
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.075
local terms energy: -71.602757
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -108.373853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.373853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.373853 (E_RNA)
where:
Base-Base interactions energy: -48.356
where: short stacking energy: -42.176
Base-Backbone interact. energy: -0.088
local terms energy: -59.930267
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -12.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -94.195854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.195854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.195854 (E_RNA)
where:
Base-Base interactions energy: -45.632
where: short stacking energy: -17.952
Base-Backbone interact. energy: 0.317
local terms energy: -48.880654
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: 2.903
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: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -80.457249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.457249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.457249 (E_RNA)
where:
Base-Base interactions energy: -36.122
where: short stacking energy: -29.557
Base-Backbone interact. energy: -0.114
local terms energy: -44.221199
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -237.650495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.650495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.650495 (E_RNA)
where:
Base-Base interactions energy: -161.360
where: short stacking energy: -69.513
Base-Backbone interact. energy: 0.031
local terms energy: -76.321313
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -237.285413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.285413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.285413 (E_RNA)
where:
Base-Base interactions energy: -156.723
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.048
local terms energy: -80.515084
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -22.055
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: 210
Temperature: 1.000000
Total energy: -215.896370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.896370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.896370 (E_RNA)
where:
Base-Base interactions energy: -141.246
where: short stacking energy: -63.306
Base-Backbone interact. energy: -1.941
local terms energy: -72.709599
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -222.310366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.310366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.310366 (E_RNA)
where:
Base-Base interactions energy: -147.279
where: short stacking energy: -68.472
Base-Backbone interact. energy: 1.300
local terms energy: -76.331458
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -20.343
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: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -230.081465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.081465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.081465 (E_RNA)
where:
Base-Base interactions energy: -151.250
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.365
local terms energy: -78.466832
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -216.487319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.487319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.487319 (E_RNA)
where:
Base-Base interactions energy: -145.998
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.068
local terms energy: -70.421037
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -186.179351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.179351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.179351 (E_RNA)
where:
Base-Base interactions energy: -128.781
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.254
local terms energy: -57.144525
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -102.420582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.420582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.420582 (E_RNA)
where:
Base-Base interactions energy: -58.037
where: short stacking energy: -22.138
Base-Backbone interact. energy: -0.272
local terms energy: -44.111028
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -106.918898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.918898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.918898 (E_RNA)
where:
Base-Base interactions energy: -59.564
where: short stacking energy: -22.500
Base-Backbone interact. energy: -0.114
local terms energy: -47.240735
where:
bonds (distance) C4'-P energy: -9.106
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -71.868991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.868991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.868991 (E_RNA)
where:
Base-Base interactions energy: -23.030
where: short stacking energy: -23.030
Base-Backbone interact. energy: -0.110
local terms energy: -48.729020
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -230.639731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.639731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.639731 (E_RNA)
where:
Base-Base interactions energy: -150.610
where: short stacking energy: -69.704
Base-Backbone interact. energy: -0.413
local terms energy: -79.616749
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -232.066548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.066548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.066548 (E_RNA)
where:
Base-Base interactions energy: -153.238
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.013
local terms energy: -78.815976
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -23.316
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: 3, replica: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -229.056253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.056253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.056253 (E_RNA)
where:
Base-Base interactions energy: -156.121
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.367
local terms energy: -72.568111
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -208.665917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.665917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.665917 (E_RNA)
where:
Base-Base interactions energy: -138.195
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.165
local terms energy: -70.305736
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -8.596
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: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -210.131773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.131773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.131773 (E_RNA)
where:
Base-Base interactions energy: -146.774
where: short stacking energy: -75.597
Base-Backbone interact. energy: -0.932
local terms energy: -62.425520
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -8.388
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -206.778585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.778585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.778585 (E_RNA)
where:
Base-Base interactions energy: -134.246
where: short stacking energy: -66.085
Base-Backbone interact. energy: -0.056
local terms energy: -72.476077
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -21.023
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: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -202.992538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.992538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.992538 (E_RNA)
where:
Base-Base interactions energy: -140.038
where: short stacking energy: -52.538
Base-Backbone interact. energy: -0.010
local terms energy: -62.944387
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -137.491144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.491144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.491144 (E_RNA)
where:
Base-Base interactions energy: -88.700
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.122
local terms energy: -48.669329
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -4.502
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -80.274963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.274963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.274963 (E_RNA)
where:
Base-Base interactions energy: -43.997
where: short stacking energy: -12.456
Base-Backbone interact. energy: -0.234
local terms energy: -36.044293
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -8.601
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: 3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -81.548576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548576 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -31.219
Base-Backbone interact. energy: -0.026
local terms energy: -44.001075
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: 1.904
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: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -233.418107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.418107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.418107 (E_RNA)
where:
Base-Base interactions energy: -155.182
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.685
local terms energy: -77.551184
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -229.112754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.112754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.112754 (E_RNA)
where:
Base-Base interactions energy: -149.800
where: short stacking energy: -68.310
Base-Backbone interact. energy: -0.211
local terms energy: -79.102219
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -21.423
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: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -226.448054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.448054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.448054 (E_RNA)
where:
Base-Base interactions energy: -148.179
where: short stacking energy: -75.647
Base-Backbone interact. energy: -0.232
local terms energy: -78.036987
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -18.334
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: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -222.220419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.220419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.220419 (E_RNA)
where:
Base-Base interactions energy: -145.772
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.009
local terms energy: -76.439175
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -224.005525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.005525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.005525 (E_RNA)
where:
Base-Base interactions energy: -142.343
where: short stacking energy: -66.543
Base-Backbone interact. energy: -0.222
local terms energy: -81.440792
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -218.096016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.096016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.096016 (E_RNA)
where:
Base-Base interactions energy: -149.172
where: short stacking energy: -61.817
Base-Backbone interact. energy: -0.444
local terms energy: -68.480554
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -16.475
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: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -199.569115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.569115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.569115 (E_RNA)
where:
Base-Base interactions energy: -134.107
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.011
local terms energy: -65.450619
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -85.770245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.770245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.770245 (E_RNA)
where:
Base-Base interactions energy: -31.283
where: short stacking energy: -28.103
Base-Backbone interact. energy: -0.098
local terms energy: -54.389000
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -86.898057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.898057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.898057 (E_RNA)
where:
Base-Base interactions energy: -42.385
where: short stacking energy: -27.052
Base-Backbone interact. energy: -0.632
local terms energy: -43.880659
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -75.814909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.814909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.814909 (E_RNA)
where:
Base-Base interactions energy: -31.106
where: short stacking energy: -29.359
Base-Backbone interact. energy: -0.577
local terms energy: -44.132233
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -232.756046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.756046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.756046 (E_RNA)
where:
Base-Base interactions energy: -155.923
where: short stacking energy: -76.583
Base-Backbone interact. energy: -0.654
local terms energy: -76.179719
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -232.528762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.528762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.528762 (E_RNA)
where:
Base-Base interactions energy: -157.044
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.004
local terms energy: -75.480375
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -224.947569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.947569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.947569 (E_RNA)
where:
Base-Base interactions energy: -146.796
where: short stacking energy: -67.587
Base-Backbone interact. energy: -0.006
local terms energy: -78.146362
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -22.720
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: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -230.700324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.700324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.700324 (E_RNA)
where:
Base-Base interactions energy: -156.729
where: short stacking energy: -82.433
Base-Backbone interact. energy: -0.001
local terms energy: -73.970245
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -220.076345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.076345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.076345 (E_RNA)
where:
Base-Base interactions energy: -145.410
where: short stacking energy: -66.765
Base-Backbone interact. energy: -0.000
local terms energy: -74.666534
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -215.920578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.920578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.920578 (E_RNA)
where:
Base-Base interactions energy: -142.370
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.625
local terms energy: -72.925351
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -204.450861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.450861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.450861 (E_RNA)
where:
Base-Base interactions energy: -136.445
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.014
local terms energy: -67.991580
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -72.832715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.832715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.832715 (E_RNA)
where:
Base-Base interactions energy: -32.590
where: short stacking energy: -32.253
Base-Backbone interact. energy: -0.789
local terms energy: -39.453575
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -87.322768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.322768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.322768 (E_RNA)
where:
Base-Base interactions energy: -32.987
where: short stacking energy: -31.622
Base-Backbone interact. energy: 1.116
local terms energy: -55.451881
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -1.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -90.546753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.546753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.546753 (E_RNA)
where:
Base-Base interactions energy: -40.469
where: short stacking energy: -31.011
Base-Backbone interact. energy: -0.104
local terms energy: -49.974394
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -4.501
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: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -231.451512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.451512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.451512 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -69.904
Base-Backbone interact. energy: -0.009
local terms energy: -80.231066
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -233.861838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.861838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.861838 (E_RNA)
where:
Base-Base interactions energy: -153.645
where: short stacking energy: -73.641
Base-Backbone interact. energy: -0.001
local terms energy: -80.216497
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -225.739073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.739073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.739073 (E_RNA)
where:
Base-Base interactions energy: -147.250
where: short stacking energy: -71.400
Base-Backbone interact. energy: -0.011
local terms energy: -78.477689
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -230.817443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.817443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.817443 (E_RNA)
where:
Base-Base interactions energy: -151.098
where: short stacking energy: -73.475
Base-Backbone interact. energy: -0.026
local terms energy: -79.693311
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -203.031097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.031097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.031097 (E_RNA)
where:
Base-Base interactions energy: -131.735
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.009
local terms energy: -71.287063
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -206.777289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.777289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.777289 (E_RNA)
where:
Base-Base interactions energy: -137.428
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.059
local terms energy: -69.290889
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -9.372
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: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -201.458167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.458167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.458167 (E_RNA)
where:
Base-Base interactions energy: -137.736
where: short stacking energy: -59.274
Base-Backbone interact. energy: -1.099
local terms energy: -62.623968
where:
bonds (distance) C4'-P energy: -6.706
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -89.067281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.067281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.067281 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -32.631
Base-Backbone interact. energy: -0.272
local terms energy: -53.720205
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -94.925169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.925169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.925169 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -16.705
Base-Backbone interact. energy: -0.093
local terms energy: -53.666208
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: 1.083
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: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -74.940549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.940549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.940549 (E_RNA)
where:
Base-Base interactions energy: -28.247
where: short stacking energy: -24.483
Base-Backbone interact. energy: -0.386
local terms energy: -46.307491
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: 1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -232.725509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.725509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.725509 (E_RNA)
where:
Base-Base interactions energy: -151.280
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.174
local terms energy: -81.271374
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.816
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: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -227.032274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.032274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.032274 (E_RNA)
where:
Base-Base interactions energy: -151.559
where: short stacking energy: -69.544
Base-Backbone interact. energy: -0.422
local terms energy: -75.050980
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -227.454002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.454002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.454002 (E_RNA)
where:
Base-Base interactions energy: -145.953
where: short stacking energy: -63.521
Base-Backbone interact. energy: -0.000
local terms energy: -81.500463
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -223.603098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.603098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.603098 (E_RNA)
where:
Base-Base interactions energy: -148.714
where: short stacking energy: -65.701
Base-Backbone interact. energy: -0.001
local terms energy: -74.887943
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -198.236708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.236708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.236708 (E_RNA)
where:
Base-Base interactions energy: -135.569
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.297
local terms energy: -62.370854
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -203.340653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.340653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.340653 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.153
local terms energy: -63.611916
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -182.920676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.920676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.920676 (E_RNA)
where:
Base-Base interactions energy: -109.786
where: short stacking energy: -46.307
Base-Backbone interact. energy: -0.036
local terms energy: -73.098242
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -99.157475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.157475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.157475 (E_RNA)
where:
Base-Base interactions energy: -52.527
where: short stacking energy: -28.300
Base-Backbone interact. energy: -0.563
local terms energy: -46.067540
where:
bonds (distance) C4'-P energy: -7.068
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -94.051653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.051653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.051653 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -28.121
Base-Backbone interact. energy: -0.517
local terms energy: -54.466294
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -74.015365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.015365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.015365 (E_RNA)
where:
Base-Base interactions energy: -20.573
where: short stacking energy: -19.419
Base-Backbone interact. energy: -0.111
local terms energy: -53.331150
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -222.468733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.468733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.468733 (E_RNA)
where:
Base-Base interactions energy: -146.061
where: short stacking energy: -69.519
Base-Backbone interact. energy: -1.264
local terms energy: -75.143716
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -16.627
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: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -228.774411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.774411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.774411 (E_RNA)
where:
Base-Base interactions energy: -154.373
where: short stacking energy: -69.546
Base-Backbone interact. energy: -0.005
local terms energy: -74.396126
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -20.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -224.265375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.265375 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.014
local terms energy: -73.647619
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -238.030561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.030561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.030561 (E_RNA)
where:
Base-Base interactions energy: -159.935
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.002
local terms energy: -78.094109
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -203.865864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.865864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.865864 (E_RNA)
where:
Base-Base interactions energy: -135.881
where: short stacking energy: -53.567
Base-Backbone interact. energy: -0.604
local terms energy: -67.381618
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -203.624536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.624536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.624536 (E_RNA)
where:
Base-Base interactions energy: -134.083
where: short stacking energy: -46.436
Base-Backbone interact. energy: -0.133
local terms energy: -69.408450
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -180.245167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.245167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.245167 (E_RNA)
where:
Base-Base interactions energy: -126.787
where: short stacking energy: -63.561
Base-Backbone interact. energy: -0.090
local terms energy: -53.367943
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -91.028857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.028857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.028857 (E_RNA)
where:
Base-Base interactions energy: -41.146
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.653
local terms energy: -49.230177
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -3.992
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: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -75.061875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.061875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.061875 (E_RNA)
where:
Base-Base interactions energy: -26.664
where: short stacking energy: -26.664
Base-Backbone interact. energy: -0.071
local terms energy: -48.326703
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -92.443680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.443680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.443680 (E_RNA)
where:
Base-Base interactions energy: -43.959
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.275
local terms energy: -48.209144
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -4.077
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -230.998314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.998314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.998314 (E_RNA)
where:
Base-Base interactions energy: -148.151
where: short stacking energy: -72.710
Base-Backbone interact. energy: -0.889
local terms energy: -81.958189
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -19.413
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: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -228.827771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.827771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.827771 (E_RNA)
where:
Base-Base interactions energy: -152.444
where: short stacking energy: -76.717
Base-Backbone interact. energy: 0.116
local terms energy: -76.499674
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -219.530324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.530324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.530324 (E_RNA)
where:
Base-Base interactions energy: -144.642
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.005
local terms energy: -74.883712
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -216.802068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.802068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.802068 (E_RNA)
where:
Base-Base interactions energy: -154.343
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.031
local terms energy: -62.427331
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -8.153
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: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -218.293485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.293485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.293485 (E_RNA)
where:
Base-Base interactions energy: -153.350
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.306
local terms energy: -64.637080
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -12.158
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: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -203.809380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.809380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.809380 (E_RNA)
where:
Base-Base interactions energy: -140.083
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.024
local terms energy: -63.702160
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -196.683040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.683040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.683040 (E_RNA)
where:
Base-Base interactions energy: -134.788
where: short stacking energy: -49.270
Base-Backbone interact. energy: -0.898
local terms energy: -60.996788
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -8.153
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: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -101.147263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.147263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.147263 (E_RNA)
where:
Base-Base interactions energy: -55.525
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.197
local terms energy: -45.425068
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -6.981
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: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -87.577971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.577971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.577971 (E_RNA)
where:
Base-Base interactions energy: -38.854
where: short stacking energy: -37.790
Base-Backbone interact. energy: -0.080
local terms energy: -48.644289
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -78.595954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.595954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.595954 (E_RNA)
where:
Base-Base interactions energy: -33.554
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.149
local terms energy: -44.893048
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -233.005583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.005583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.005583 (E_RNA)
where:
Base-Base interactions energy: -150.541
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.081
local terms energy: -82.383557
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -222.905019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.905019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.905019 (E_RNA)
where:
Base-Base interactions energy: -146.689
where: short stacking energy: -68.447
Base-Backbone interact. energy: -1.162
local terms energy: -75.054220
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -222.990993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.990993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.990993 (E_RNA)
where:
Base-Base interactions energy: -147.535
where: short stacking energy: -63.930
Base-Backbone interact. energy: -0.003
local terms energy: -75.453650
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -224.756322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.756322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.756322 (E_RNA)
where:
Base-Base interactions energy: -150.115
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.083
local terms energy: -74.558657
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -209.838774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.838774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.838774 (E_RNA)
where:
Base-Base interactions energy: -140.213
where: short stacking energy: -66.736
Base-Backbone interact. energy: -0.055
local terms energy: -69.570718
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -208.636906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.636906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.636906 (E_RNA)
where:
Base-Base interactions energy: -138.150
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.031
local terms energy: -70.456520
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -189.522323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.522323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.522323 (E_RNA)
where:
Base-Base interactions energy: -128.562
where: short stacking energy: -46.916
Base-Backbone interact. energy: -0.073
local terms energy: -60.887312
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -10.777
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: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -126.508996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.508996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.508996 (E_RNA)
where:
Base-Base interactions energy: -70.716
where: short stacking energy: -31.257
Base-Backbone interact. energy: -0.032
local terms energy: -55.760560
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -84.674690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.674690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.674690 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -15.655
Base-Backbone interact. energy: -0.684
local terms energy: -51.813905
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -91.629168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.629168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.629168 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -31.732
Base-Backbone interact. energy: -0.094
local terms energy: -58.898270
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -12.043
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: 219
Temperature: 0.900000
Total energy: -237.205781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.205781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.205781 (E_RNA)
where:
Base-Base interactions energy: -161.829
where: short stacking energy: -78.797
Base-Backbone interact. energy: -0.413
local terms energy: -74.964213
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -227.190410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.190410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.190410 (E_RNA)
where:
Base-Base interactions energy: -151.381
where: short stacking energy: -68.281
Base-Backbone interact. energy: -0.931
local terms energy: -74.878543
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -213.197556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.197556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.197556 (E_RNA)
where:
Base-Base interactions energy: -137.882
where: short stacking energy: -62.086
Base-Backbone interact. energy: -0.308
local terms energy: -75.008269
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -18.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -212.547049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.547049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.547049 (E_RNA)
where:
Base-Base interactions energy: -146.832
where: short stacking energy: -62.674
Base-Backbone interact. energy: -1.556
local terms energy: -64.159287
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -6.528
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -224.834537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.834537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.834537 (E_RNA)
where:
Base-Base interactions energy: -148.525
where: short stacking energy: -72.551
Base-Backbone interact. energy: -0.306
local terms energy: -76.003767
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -22.785
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: 219
Temperature: 1.150000
Total energy: -202.335349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.335349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.335349 (E_RNA)
where:
Base-Base interactions energy: -130.859
where: short stacking energy: -66.466
Base-Backbone interact. energy: -0.003
local terms energy: -71.473687
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -19.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -212.021472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.021472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.021472 (E_RNA)
where:
Base-Base interactions energy: -140.779
where: short stacking energy: -59.950
Base-Backbone interact. energy: -0.618
local terms energy: -70.624816
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.711
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: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -128.993211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.993211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.993211 (E_RNA)
where:
Base-Base interactions energy: -71.821
where: short stacking energy: -35.277
Base-Backbone interact. energy: -0.073
local terms energy: -57.099154
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -1.595
tors. eta vs tors. theta energy: -11.376
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: 9, replica: 3
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -90.723080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.723080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.723080 (E_RNA)
where:
Base-Base interactions energy: -42.050
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.015
local terms energy: -48.658259
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -84.999005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.999005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.999005 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -18.782
Base-Backbone interact. energy: -0.136
local terms energy: -54.221922
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -223.896860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.896860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.896860 (E_RNA)
where:
Base-Base interactions energy: -152.906
where: short stacking energy: -71.297
Base-Backbone interact. energy: -0.331
local terms energy: -70.659935
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -21.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -232.837837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.837837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.837837 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -70.208
Base-Backbone interact. energy: -0.650
local terms energy: -78.740232
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -225.943838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.943838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.943838 (E_RNA)
where:
Base-Base interactions energy: -153.867
where: short stacking energy: -71.194
Base-Backbone interact. energy: -0.025
local terms energy: -72.051888
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -9.643
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: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -216.455718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.455718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.455718 (E_RNA)
where:
Base-Base interactions energy: -144.392
where: short stacking energy: -67.906
Base-Backbone interact. energy: -0.042
local terms energy: -72.021097
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -215.557100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.557100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.557100 (E_RNA)
where:
Base-Base interactions energy: -142.442
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.025
local terms energy: -73.089720
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -201.710227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.710227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.710227 (E_RNA)
where:
Base-Base interactions energy: -133.382
where: short stacking energy: -60.813
Base-Backbone interact. energy: -0.340
local terms energy: -67.988693
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.430
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: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -202.453242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.453242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.453242 (E_RNA)
where:
Base-Base interactions energy: -132.743
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.003
local terms energy: -69.707199
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -85.725670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.725670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.725670 (E_RNA)
where:
Base-Base interactions energy: -33.833
where: short stacking energy: -32.756
Base-Backbone interact. energy: 0.914
local terms energy: -52.806682
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -6.069
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: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -95.520231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.520231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.520231 (E_RNA)
where:
Base-Base interactions energy: -37.143
where: short stacking energy: -33.817
Base-Backbone interact. energy: -0.004
local terms energy: -58.373269
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -9.694
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: 3
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -78.528285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.528285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.528285 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -24.121
Base-Backbone interact. energy: -0.067
local terms energy: -47.680898
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -221.230255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.230255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.230255 (E_RNA)
where:
Base-Base interactions energy: -143.150
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.103
local terms energy: -77.976831
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -230.226099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.226099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.226099 (E_RNA)
where:
Base-Base interactions energy: -154.865
where: short stacking energy: -67.413
Base-Backbone interact. energy: -0.011
local terms energy: -75.350292
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.848
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: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -236.165826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.165826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.165826 (E_RNA)
where:
Base-Base interactions energy: -156.273
where: short stacking energy: -78.349
Base-Backbone interact. energy: -0.002
local terms energy: -79.890497
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -21.476
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: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -225.151856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.151856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.151856 (E_RNA)
where:
Base-Base interactions energy: -151.294
where: short stacking energy: -68.249
Base-Backbone interact. energy: -0.610
local terms energy: -73.247910
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -20.853
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: 5, replica: 10
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -209.108819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.108819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.108819 (E_RNA)
where:
Base-Base interactions energy: -143.954
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.979
local terms energy: -64.175381
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -226.946135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.946135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.946135 (E_RNA)
where:
Base-Base interactions energy: -149.420
where: short stacking energy: -73.530
Base-Backbone interact. energy: -0.020
local terms energy: -77.506776
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -209.879531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.879531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.879531 (E_RNA)
where:
Base-Base interactions energy: -139.756
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.693
local terms energy: -69.430656
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -82.222228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.222228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.222228 (E_RNA)
where:
Base-Base interactions energy: -31.154
where: short stacking energy: -24.042
Base-Backbone interact. energy: -0.344
local terms energy: -50.724826
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -1.421
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -90.759892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759892 (E_RNA)
where:
Base-Base interactions energy: -39.633
where: short stacking energy: -25.121
Base-Backbone interact. energy: -0.053
local terms energy: -51.073859
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -8.095
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: 3
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -80.198422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.198422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.198422 (E_RNA)
where:
Base-Base interactions energy: -35.903
where: short stacking energy: -30.720
Base-Backbone interact. energy: -0.018
local terms energy: -44.277037
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -237.075620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.075620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.075620 (E_RNA)
where:
Base-Base interactions energy: -156.050
where: short stacking energy: -74.479
Base-Backbone interact. energy: -0.003
local terms energy: -81.022982
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -217.053793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.053793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.053793 (E_RNA)
where:
Base-Base interactions energy: -150.860
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.048
local terms energy: -66.145205
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -9.329
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: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -235.185516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.185516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.185516 (E_RNA)
where:
Base-Base interactions energy: -159.173
where: short stacking energy: -72.736
Base-Backbone interact. energy: -0.003
local terms energy: -76.009226
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -10.132
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: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -210.720546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.720546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.720546 (E_RNA)
where:
Base-Base interactions energy: -132.569
where: short stacking energy: -56.747
Base-Backbone interact. energy: -0.677
local terms energy: -77.474567
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -213.266128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.266128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.266128 (E_RNA)
where:
Base-Base interactions energy: -146.424
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.736
local terms energy: -66.106487
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -208.817666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.817666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.817666 (E_RNA)
where:
Base-Base interactions energy: -141.821
where: short stacking energy: -63.631
Base-Backbone interact. energy: -0.128
local terms energy: -66.868723
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -210.203991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.203991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.203991 (E_RNA)
where:
Base-Base interactions energy: -139.419
where: short stacking energy: -67.282
Base-Backbone interact. energy: -0.790
local terms energy: -69.995207
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -116.199695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.199695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.199695 (E_RNA)
where:
Base-Base interactions energy: -68.982
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.591
local terms energy: -46.627264
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -77.175198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.175198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.175198 (E_RNA)
where:
Base-Base interactions energy: -34.446
where: short stacking energy: -22.303
Base-Backbone interact. energy: 1.290
local terms energy: -44.018758
where:
bonds (distance) C4'-P energy: -7.450
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -1.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -76.106867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.106867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.106867 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -28.517
Base-Backbone interact. energy: -0.144
local terms energy: -39.807175
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -8.896
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -239.114280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.114280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.114280 (E_RNA)
where:
Base-Base interactions energy: -164.653
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.185
local terms energy: -74.276072
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -224.144961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.144961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.144961 (E_RNA)
where:
Base-Base interactions energy: -150.244
where: short stacking energy: -69.521
Base-Backbone interact. energy: -0.541
local terms energy: -73.359903
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -225.793855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.793855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.793855 (E_RNA)
where:
Base-Base interactions energy: -151.253
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.003
local terms energy: -74.538552
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -223.521448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.521448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.521448 (E_RNA)
where:
Base-Base interactions energy: -145.416
where: short stacking energy: -70.094
Base-Backbone interact. energy: -0.409
local terms energy: -77.697116
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.656
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -206.607986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.607986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.607986 (E_RNA)
where:
Base-Base interactions energy: -139.092
where: short stacking energy: -63.978
Base-Backbone interact. energy: -0.020
local terms energy: -67.496314
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -16.853
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: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -214.493089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.493089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.493089 (E_RNA)
where:
Base-Base interactions energy: -139.995
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.043
local terms energy: -74.455125
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -182.254742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.254742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.254742 (E_RNA)
where:
Base-Base interactions energy: -117.981
where: short stacking energy: -47.656
Base-Backbone interact. energy: -0.138
local terms energy: -64.135832
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -7.536
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -118.013931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.013931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.013931 (E_RNA)
where:
Base-Base interactions energy: -67.732
where: short stacking energy: -34.084
Base-Backbone interact. energy: -0.775
local terms energy: -49.507427
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: 1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -82.138623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.138623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.138623 (E_RNA)
where:
Base-Base interactions energy: -24.918
where: short stacking energy: -24.477
Base-Backbone interact. energy: -0.008
local terms energy: -57.213172
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -80.554083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.554083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.554083 (E_RNA)
where:
Base-Base interactions energy: -31.292
where: short stacking energy: -24.954
Base-Backbone interact. energy: -0.114
local terms energy: -49.148625
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -234.948910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.948910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.948910 (E_RNA)
where:
Base-Base interactions energy: -156.365
where: short stacking energy: -77.055
Base-Backbone interact. energy: -0.020
local terms energy: -78.564366
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -23.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -225.467252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.467252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.467252 (E_RNA)
where:
Base-Base interactions energy: -148.203
where: short stacking energy: -65.698
Base-Backbone interact. energy: -0.122
local terms energy: -77.141580
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -230.514279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.514279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.514279 (E_RNA)
where:
Base-Base interactions energy: -154.288
where: short stacking energy: -76.411
Base-Backbone interact. energy: 2.538
local terms energy: -78.765004
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -221.154205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.154205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.154205 (E_RNA)
where:
Base-Base interactions energy: -147.694
where: short stacking energy: -65.646
Base-Backbone interact. energy: -0.290
local terms energy: -73.170359
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -213.276955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.276955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.276955 (E_RNA)
where:
Base-Base interactions energy: -135.678
where: short stacking energy: -68.200
Base-Backbone interact. energy: 0.590
local terms energy: -78.189188
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -216.542167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.542167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.542167 (E_RNA)
where:
Base-Base interactions energy: -144.401
where: short stacking energy: -65.308
Base-Backbone interact. energy: -0.231
local terms energy: -71.909581
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -19.868
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: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -166.033565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.033565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.033565 (E_RNA)
where:
Base-Base interactions energy: -97.606
where: short stacking energy: -45.673
Base-Backbone interact. energy: -1.242
local terms energy: -67.185377
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -12.213
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: 224
Temperature: 1.250000
Total energy: -88.541316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.541316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.541316 (E_RNA)
where:
Base-Base interactions energy: -42.087
where: short stacking energy: -37.849
Base-Backbone interact. energy: 0.050
local terms energy: -46.504222
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -3.814
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: 9, replica: 7
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -87.071431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071431 (E_RNA)
where:
Base-Base interactions energy: -38.358
where: short stacking energy: -26.863
Base-Backbone interact. energy: -0.132
local terms energy: -48.581781
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -75.712744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712744 (E_RNA)
where:
Base-Base interactions energy: -22.100
where: short stacking energy: -18.317
Base-Backbone interact. energy: -0.129
local terms energy: -53.483112
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -2.664
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: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -238.049903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.049903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.049903 (E_RNA)
where:
Base-Base interactions energy: -154.634
where: short stacking energy: -77.266
Base-Backbone interact. energy: -0.020
local terms energy: -83.395501
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -23.955
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: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -220.627012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627012 (E_RNA)
where:
Base-Base interactions energy: -149.024
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.129
local terms energy: -71.474016
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -211.060837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.060837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.060837 (E_RNA)
where:
Base-Base interactions energy: -140.328
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.816
local terms energy: -69.916949
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -222.062797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.062797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.062797 (E_RNA)
where:
Base-Base interactions energy: -150.031
where: short stacking energy: -67.557
Base-Backbone interact. energy: 0.484
local terms energy: -72.515622
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -207.962813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.962813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.962813 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -64.949
Base-Backbone interact. energy: -0.796
local terms energy: -68.472683
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -214.612923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.612923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.612923 (E_RNA)
where:
Base-Base interactions energy: -146.134
where: short stacking energy: -65.473
Base-Backbone interact. energy: -0.009
local terms energy: -68.469544
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.777
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: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -176.492303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.492303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.492303 (E_RNA)
where:
Base-Base interactions energy: -114.406
where: short stacking energy: -49.929
Base-Backbone interact. energy: -0.049
local terms energy: -62.037603
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -8.965
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -88.934256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.934256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.934256 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -23.559
Base-Backbone interact. energy: -0.449
local terms energy: -51.654026
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -81.519887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.519887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.519887 (E_RNA)
where:
Base-Base interactions energy: -24.194
where: short stacking energy: -24.045
Base-Backbone interact. energy: -0.036
local terms energy: -57.290254
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -82.164584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.164584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.164584 (E_RNA)
where:
Base-Base interactions energy: -34.312
where: short stacking energy: -34.312
Base-Backbone interact. energy: 0.190
local terms energy: -48.042583
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -6.438
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: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -242.140340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.140340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.140340 (E_RNA)
where:
Base-Base interactions energy: -159.300
where: short stacking energy: -74.046
Base-Backbone interact. energy: 1.150
local terms energy: -83.989731
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -23.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -238.920183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.920183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.920183 (E_RNA)
where:
Base-Base interactions energy: -161.878
where: short stacking energy: -70.453
Base-Backbone interact. energy: -0.399
local terms energy: -76.642879
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -24.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -229.412962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.412962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.412962 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -66.536
Base-Backbone interact. energy: 0.555
local terms energy: -81.700486
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -20.606
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: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -213.323392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.323392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.323392 (E_RNA)
where:
Base-Base interactions energy: -134.634
where: short stacking energy: -55.497
Base-Backbone interact. energy: -0.542
local terms energy: -78.147471
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -223.240066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.240066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.240066 (E_RNA)
where:
Base-Base interactions energy: -154.308
where: short stacking energy: -70.041
Base-Backbone interact. energy: -0.097
local terms energy: -68.834535
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -193.124557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.124557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.124557 (E_RNA)
where:
Base-Base interactions energy: -121.958
where: short stacking energy: -50.243
Base-Backbone interact. energy: -0.357
local terms energy: -70.810137
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -191.053728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.053728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.053728 (E_RNA)
where:
Base-Base interactions energy: -122.770
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.002
local terms energy: -68.281305
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -94.999026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.999026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.999026 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.167
local terms energy: -56.234046
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -5.021
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: 226
Temperature: 1.300000
Total energy: -79.613358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.613358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.613358 (E_RNA)
where:
Base-Base interactions energy: -25.934
where: short stacking energy: -25.934
Base-Backbone interact. energy: -0.220
local terms energy: -53.459059
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -11.323
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: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -132.194556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.194556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.194556 (E_RNA)
where:
Base-Base interactions energy: -82.633
where: short stacking energy: -42.851
Base-Backbone interact. energy: -0.290
local terms energy: -49.271190
where:
bonds (distance) C4'-P energy: -6.302
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -9.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -235.585570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.585570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.585570 (E_RNA)
where:
Base-Base interactions energy: -156.309
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.007
local terms energy: -79.270388
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -20.422
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: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -232.923837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.923837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.923837 (E_RNA)
where:
Base-Base interactions energy: -157.124
where: short stacking energy: -74.395
Base-Backbone interact. energy: -0.134
local terms energy: -75.665911
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -232.925722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.925722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.925722 (E_RNA)
where:
Base-Base interactions energy: -156.624
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.396
local terms energy: -75.905899
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -226.771798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.771798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.771798 (E_RNA)
where:
Base-Base interactions energy: -149.609
where: short stacking energy: -71.714
Base-Backbone interact. energy: -0.491
local terms energy: -76.671737
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -215.304592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.304592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.304592 (E_RNA)
where:
Base-Base interactions energy: -134.442
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.292
local terms energy: -80.569910
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.745
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -212.252866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.252866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.252866 (E_RNA)
where:
Base-Base interactions energy: -140.624
where: short stacking energy: -66.278
Base-Backbone interact. energy: -0.042
local terms energy: -71.586886
where:
bonds (distance) C4'-P energy: -8.003
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -206.061940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.061940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.061940 (E_RNA)
where:
Base-Base interactions energy: -133.715
where: short stacking energy: -65.546
Base-Backbone interact. energy: -0.841
local terms energy: -71.506522
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -89.291360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291360 (E_RNA)
where:
Base-Base interactions energy: -40.764
where: short stacking energy: -40.764
Base-Backbone interact. energy: -0.088
local terms energy: -48.438857
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -0.733
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: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -104.777234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.777234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.777234 (E_RNA)
where:
Base-Base interactions energy: -61.353
where: short stacking energy: -39.184
Base-Backbone interact. energy: 1.017
local terms energy: -44.441028
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -92.959012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.959012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.959012 (E_RNA)
where:
Base-Base interactions energy: -31.423
where: short stacking energy: -31.423
Base-Backbone interact. energy: -0.017
local terms energy: -61.519409
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -8.058
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: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -234.223429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.223429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.223429 (E_RNA)
where:
Base-Base interactions energy: -157.053
where: short stacking energy: -73.335
Base-Backbone interact. energy: -0.196
local terms energy: -76.974251
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -9.582
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: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -225.270305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.270305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.270305 (E_RNA)
where:
Base-Base interactions energy: -147.264
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.006
local terms energy: -77.999522
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -228.498483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.498483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.498483 (E_RNA)
where:
Base-Base interactions energy: -150.619
where: short stacking energy: -75.979
Base-Backbone interact. energy: -0.002
local terms energy: -77.877547
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -23.623
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: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -215.351279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.351279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.351279 (E_RNA)
where:
Base-Base interactions energy: -142.226
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.245
local terms energy: -72.879880
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -221.880116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.880116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.880116 (E_RNA)
where:
Base-Base interactions energy: -148.815
where: short stacking energy: -71.674
Base-Backbone interact. energy: -0.102
local terms energy: -72.963181
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -214.447134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.447134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.447134 (E_RNA)
where:
Base-Base interactions energy: -137.130
where: short stacking energy: -67.734
Base-Backbone interact. energy: -0.876
local terms energy: -76.441010
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -206.404395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.404395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.404395 (E_RNA)
where:
Base-Base interactions energy: -136.167
where: short stacking energy: -66.429
Base-Backbone interact. energy: 1.374
local terms energy: -71.611179
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -84.581805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.581805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.581805 (E_RNA)
where:
Base-Base interactions energy: -40.375
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.392
local terms energy: -43.814704
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: -5.476
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: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -74.916495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.916495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.916495 (E_RNA)
where:
Base-Base interactions energy: -30.899
where: short stacking energy: -16.456
Base-Backbone interact. energy: -0.135
local terms energy: -43.881820
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -3.123
tors. eta vs tors. theta energy: 4.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -88.235885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.235885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.235885 (E_RNA)
where:
Base-Base interactions energy: -38.968
where: short stacking energy: -39.268
Base-Backbone interact. energy: 1.778
local terms energy: -51.046008
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -4.397
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -234.008042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.008042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.008042 (E_RNA)
where:
Base-Base interactions energy: -157.689
where: short stacking energy: -73.127
Base-Backbone interact. energy: 0.234
local terms energy: -76.553313
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -236.355729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.355729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.355729 (E_RNA)
where:
Base-Base interactions energy: -159.329
where: short stacking energy: -69.503
Base-Backbone interact. energy: -0.055
local terms energy: -76.972142
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -20.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -228.633286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.633286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.633286 (E_RNA)
where:
Base-Base interactions energy: -149.517
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.002
local terms energy: -79.114751
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -214.964237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.964237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.964237 (E_RNA)
where:
Base-Base interactions energy: -138.399
where: short stacking energy: -64.536
Base-Backbone interact. energy: -0.443
local terms energy: -76.122200
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -213.598289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.598289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.598289 (E_RNA)
where:
Base-Base interactions energy: -139.312
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.250
local terms energy: -74.036978
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -21.496
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: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -215.073101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.073101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.073101 (E_RNA)
where:
Base-Base interactions energy: -142.697
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.322
local terms energy: -72.054228
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -5.370
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -191.345215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.345215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.345215 (E_RNA)
where:
Base-Base interactions energy: -125.263
where: short stacking energy: -62.173
Base-Backbone interact. energy: -0.013
local terms energy: -66.068965
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -88.602267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.602267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.602267 (E_RNA)
where:
Base-Base interactions energy: -35.712
where: short stacking energy: -35.712
Base-Backbone interact. energy: -0.097
local terms energy: -52.793168
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -81.653156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.653156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.653156 (E_RNA)
where:
Base-Base interactions energy: -30.064
where: short stacking energy: -30.064
Base-Backbone interact. energy: -0.006
local terms energy: -51.583359
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -72.661823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.661823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.661823 (E_RNA)
where:
Base-Base interactions energy: -24.337
where: short stacking energy: -18.813
Base-Backbone interact. energy: -0.389
local terms energy: -47.936029
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -244.621440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.621440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.621440 (E_RNA)
where:
Base-Base interactions energy: -169.791
where: short stacking energy: -78.239
Base-Backbone interact. energy: -0.002
local terms energy: -74.828023
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -8.234
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: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -236.438829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.438829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.438829 (E_RNA)
where:
Base-Base interactions energy: -160.002
where: short stacking energy: -77.874
Base-Backbone interact. energy: -0.007
local terms energy: -76.429454
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -222.303871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.303871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.303871 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -65.647
Base-Backbone interact. energy: -0.304
local terms energy: -69.940881
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -227.480085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.480085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.480085 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -78.759
Base-Backbone interact. energy: -0.016
local terms energy: -71.105768
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -208.673731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.673731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.673731 (E_RNA)
where:
Base-Base interactions energy: -131.110
where: short stacking energy: -59.326
Base-Backbone interact. energy: -1.755
local terms energy: -75.808681
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -212.667182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.667182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.667182 (E_RNA)
where:
Base-Base interactions energy: -139.278
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.100
local terms energy: -73.289175
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -173.130824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.130824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.130824 (E_RNA)
where:
Base-Base interactions energy: -111.648
where: short stacking energy: -51.010
Base-Backbone interact. energy: -1.497
local terms energy: -59.985575
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -8.653
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -106.508332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.508332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.508332 (E_RNA)
where:
Base-Base interactions energy: -56.694
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.113
local terms energy: -49.701640
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -92.247551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.247551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.247551 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -19.654
Base-Backbone interact. energy: -1.401
local terms energy: -53.310460
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -3.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -70.519696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.519696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.519696 (E_RNA)
where:
Base-Base interactions energy: -24.513
where: short stacking energy: -24.513
Base-Backbone interact. energy: 0.051
local terms energy: -46.057951
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -6.950
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: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -232.359865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.359865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.359865 (E_RNA)
where:
Base-Base interactions energy: -154.514
where: short stacking energy: -73.042
Base-Backbone interact. energy: -0.001
local terms energy: -77.844774
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -228.503887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.503887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.503887 (E_RNA)
where:
Base-Base interactions energy: -150.055
where: short stacking energy: -77.759
Base-Backbone interact. energy: -0.578
local terms energy: -77.871680
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -229.452819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.452819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.452819 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.038
local terms energy: -79.026797
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -222.119982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.119982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.119982 (E_RNA)
where:
Base-Base interactions energy: -150.374
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.001
local terms energy: -71.745035
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.017
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: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -213.157194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.157194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.157194 (E_RNA)
where:
Base-Base interactions energy: -139.179
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.330
local terms energy: -73.647968
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -12.567
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: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -194.588298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.588298 (E_RNA)
where:
Base-Base interactions energy: -138.440
where: short stacking energy: -58.238
Base-Backbone interact. energy: -0.066
local terms energy: -56.081717
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.077
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: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -178.053622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.053622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.053622 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -45.312
Base-Backbone interact. energy: -0.097
local terms energy: -62.803352
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -100.217342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.217342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.217342 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -34.792
Base-Backbone interact. energy: -0.073
local terms energy: -60.136974
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.969
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: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -76.481539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.481539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.481539 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -27.451
Base-Backbone interact. energy: -0.173
local terms energy: -43.680170
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -88.152760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.152760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.152760 (E_RNA)
where:
Base-Base interactions energy: -45.199
where: short stacking energy: -28.188
Base-Backbone interact. energy: -0.080
local terms energy: -42.873631
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -4.250
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -228.321800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.321800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.321800 (E_RNA)
where:
Base-Base interactions energy: -155.384
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.048
local terms energy: -72.890569
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -230.422514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.422514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.422514 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -72.147
Base-Backbone interact. energy: -0.121
local terms energy: -80.905744
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -226.393857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393857 (E_RNA)
where:
Base-Base interactions energy: -149.382
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.418
local terms energy: -76.594109
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -216.134645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.134645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.134645 (E_RNA)
where:
Base-Base interactions energy: -144.247
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.048
local terms energy: -71.839247
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -199.033209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.033209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.033209 (E_RNA)
where:
Base-Base interactions energy: -132.365
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.175
local terms energy: -66.493175
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -204.636519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.636519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.636519 (E_RNA)
where:
Base-Base interactions energy: -141.967
where: short stacking energy: -69.217
Base-Backbone interact. energy: 0.505
local terms energy: -63.174616
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -11.505
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: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -194.971400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.971400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.971400 (E_RNA)
where:
Base-Base interactions energy: -133.733
where: short stacking energy: -54.362
Base-Backbone interact. energy: -0.149
local terms energy: -61.089648
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -105.884636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.884636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.884636 (E_RNA)
where:
Base-Base interactions energy: -50.934
where: short stacking energy: -32.222
Base-Backbone interact. energy: 0.888
local terms energy: -55.838366
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -1.420
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: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -93.765493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.765493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.765493 (E_RNA)
where:
Base-Base interactions energy: -41.687
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.124
local terms energy: -51.954204
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -9.300
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: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -79.990409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.990409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.990409 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -27.752
Base-Backbone interact. energy: -0.106
local terms energy: -50.687875
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: 1.266
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: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -235.337747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.337747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.337747 (E_RNA)
where:
Base-Base interactions energy: -165.212
where: short stacking energy: -72.833
Base-Backbone interact. energy: -0.006
local terms energy: -70.120527
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -235.498583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.498583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.498583 (E_RNA)
where:
Base-Base interactions energy: -157.790
where: short stacking energy: -79.595
Base-Backbone interact. energy: -0.249
local terms energy: -77.459776
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -225.588283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.588283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.588283 (E_RNA)
where:
Base-Base interactions energy: -149.149
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.239
local terms energy: -76.200955
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -203.893749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.893749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.893749 (E_RNA)
where:
Base-Base interactions energy: -137.664
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.407
local terms energy: -65.823410
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -11.772
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: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -208.675126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.675126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.675126 (E_RNA)
where:
Base-Base interactions energy: -140.217
where: short stacking energy: -51.565
Base-Backbone interact. energy: -1.390
local terms energy: -67.068376
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -199.079958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.079958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.079958 (E_RNA)
where:
Base-Base interactions energy: -130.477
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.271
local terms energy: -68.332242
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -200.611498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.611498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.611498 (E_RNA)
where:
Base-Base interactions energy: -134.505
where: short stacking energy: -54.521
Base-Backbone interact. energy: -0.033
local terms energy: -66.074372
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -11.468
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: 8, replica: 3
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -92.794520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.794520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.794520 (E_RNA)
where:
Base-Base interactions energy: -45.611
where: short stacking energy: -27.750
Base-Backbone interact. energy: -0.234
local terms energy: -46.949657
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -2.040
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -84.397809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.397809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.397809 (E_RNA)
where:
Base-Base interactions energy: -41.234
where: short stacking energy: -33.440
Base-Backbone interact. energy: -0.003
local terms energy: -43.160748
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -83.223641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.223641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.223641 (E_RNA)
where:
Base-Base interactions energy: -29.768
where: short stacking energy: -29.768
Base-Backbone interact. energy: -0.256
local terms energy: -53.199701
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -3.669
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: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -234.378669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.378669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.378669 (E_RNA)
where:
Base-Base interactions energy: -156.330
where: short stacking energy: -76.283
Base-Backbone interact. energy: -0.631
local terms energy: -77.417672
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -231.047622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.047622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.047622 (E_RNA)
where:
Base-Base interactions energy: -157.354
where: short stacking energy: -73.660
Base-Backbone interact. energy: -0.120
local terms energy: -73.573063
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -10.852
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: 3, replica: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -223.841714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841714 (E_RNA)
where:
Base-Base interactions energy: -148.717
where: short stacking energy: -72.020
Base-Backbone interact. energy: -0.001
local terms energy: -75.123706
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -211.319508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.319508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.319508 (E_RNA)
where:
Base-Base interactions energy: -133.523
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.099
local terms energy: -77.697570
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -217.628093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.628093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.628093 (E_RNA)
where:
Base-Base interactions energy: -140.900
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.072
local terms energy: -76.656549
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -12.939
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: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -197.448241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.448241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.448241 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -58.758
Base-Backbone interact. energy: -1.275
local terms energy: -65.248457
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -214.948169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.948169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.948169 (E_RNA)
where:
Base-Base interactions energy: -143.630
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.719
local terms energy: -70.599833
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -9.307
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -83.136249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136249 (E_RNA)
where:
Base-Base interactions energy: -35.605
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.544
local terms energy: -46.987010
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -89.467246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.467246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.467246 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -34.330
Base-Backbone interact. energy: -0.134
local terms energy: -45.405123
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -8.290
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: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -76.426914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.426914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.426914 (E_RNA)
where:
Base-Base interactions energy: -35.318
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.004
local terms energy: -41.105270
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: 2.375
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -234.095965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.095965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.095965 (E_RNA)
where:
Base-Base interactions energy: -156.408
where: short stacking energy: -65.968
Base-Backbone interact. energy: -0.010
local terms energy: -77.678174
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -230.332414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.332414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.332414 (E_RNA)
where:
Base-Base interactions energy: -151.202
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.412
local terms energy: -78.718483
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -21.106
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: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -231.650837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.650837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.650837 (E_RNA)
where:
Base-Base interactions energy: -151.981
where: short stacking energy: -72.265
Base-Backbone interact. energy: -0.003
local terms energy: -79.667171
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -22.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -212.260921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.260921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.260921 (E_RNA)
where:
Base-Base interactions energy: -139.494
where: short stacking energy: -66.975
Base-Backbone interact. energy: -0.090
local terms energy: -72.677184
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -10.067
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: 235
Temperature: 1.100000
Total energy: -215.041367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.041367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.041367 (E_RNA)
where:
Base-Base interactions energy: -138.842
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.471
local terms energy: -75.729291
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -203.056362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.056362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.056362 (E_RNA)
where:
Base-Base interactions energy: -130.235
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.122
local terms energy: -72.698887
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -14.117
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: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -203.104929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.104929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.104929 (E_RNA)
where:
Base-Base interactions energy: -139.129
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.339
local terms energy: -63.637704
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -90.546265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.546265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.546265 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -36.290
Base-Backbone interact. energy: -0.098
local terms energy: -51.455889
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -75.807172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.807172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.807172 (E_RNA)
where:
Base-Base interactions energy: -28.241
where: short stacking energy: -28.241
Base-Backbone interact. energy: -0.202
local terms energy: -47.364172
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -7.486
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -81.636541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.636541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.636541 (E_RNA)
where:
Base-Base interactions energy: -22.379
where: short stacking energy: -22.379
Base-Backbone interact. energy: -0.072
local terms energy: -59.185303
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.082
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -235.965382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.965382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.965382 (E_RNA)
where:
Base-Base interactions energy: -154.722
where: short stacking energy: -74.812
Base-Backbone interact. energy: -0.299
local terms energy: -80.944572
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -230.160506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.160506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.160506 (E_RNA)
where:
Base-Base interactions energy: -157.582
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.130
local terms energy: -72.448121
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -207.055776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.055776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.055776 (E_RNA)
where:
Base-Base interactions energy: -144.069
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.735
local terms energy: -62.251742
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -16.374
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: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -214.680409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.680409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.680409 (E_RNA)
where:
Base-Base interactions energy: -135.153
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.181
local terms energy: -79.346482
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -206.657001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.657001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.657001 (E_RNA)
where:
Base-Base interactions energy: -140.687
where: short stacking energy: -63.550
Base-Backbone interact. energy: -0.131
local terms energy: -65.839412
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -203.353820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.353820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.353820 (E_RNA)
where:
Base-Base interactions energy: -139.317
where: short stacking energy: -56.490
Base-Backbone interact. energy: -0.208
local terms energy: -63.828736
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -186.468674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.468674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.468674 (E_RNA)
where:
Base-Base interactions energy: -125.341
where: short stacking energy: -61.136
Base-Backbone interact. energy: -0.166
local terms energy: -60.961366
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -9.788
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -82.626109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.626109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.626109 (E_RNA)
where:
Base-Base interactions energy: -35.688
where: short stacking energy: -33.934
Base-Backbone interact. energy: 0.359
local terms energy: -47.296480
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.185
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: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -82.003376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003376 (E_RNA)
where:
Base-Base interactions energy: -29.166
where: short stacking energy: -29.166
Base-Backbone interact. energy: -0.094
local terms energy: -52.743496
where:
bonds (distance) C4'-P energy: -6.829
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -88.458458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.458458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.458458 (E_RNA)
where:
Base-Base interactions energy: -33.067
where: short stacking energy: -27.683
Base-Backbone interact. energy: -0.070
local terms energy: -55.320929
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -245.845822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.845822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.845822 (E_RNA)
where:
Base-Base interactions energy: -168.150
where: short stacking energy: -78.218
Base-Backbone interact. energy: -0.241
local terms energy: -77.455116
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -22.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -222.652610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.652610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.652610 (E_RNA)
where:
Base-Base interactions energy: -147.311
where: short stacking energy: -73.203
Base-Backbone interact. energy: -0.040
local terms energy: -75.301036
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -214.717013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.717013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.717013 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -59.314
Base-Backbone interact. energy: -0.173
local terms energy: -80.195240
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -211.654645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.654645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.654645 (E_RNA)
where:
Base-Base interactions energy: -138.354
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.007
local terms energy: -73.293861
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -222.675652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.675652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.675652 (E_RNA)
where:
Base-Base interactions energy: -147.291
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.412
local terms energy: -74.973189
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -208.834037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.834037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.834037 (E_RNA)
where:
Base-Base interactions energy: -136.747
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.003
local terms energy: -72.084026
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -183.399368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.399368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.399368 (E_RNA)
where:
Base-Base interactions energy: -121.176
where: short stacking energy: -45.110
Base-Backbone interact. energy: 0.316
local terms energy: -62.539281
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.038
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: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -85.080519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.080519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.080519 (E_RNA)
where:
Base-Base interactions energy: -33.876
where: short stacking energy: -31.472
Base-Backbone interact. energy: 1.000
local terms energy: -52.204171
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: 0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -84.115538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.115538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.115538 (E_RNA)
where:
Base-Base interactions energy: -35.764
where: short stacking energy: -23.228
Base-Backbone interact. energy: -0.661
local terms energy: -47.690091
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -7.569
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -10.530
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: 3
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -89.038002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.038002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.038002 (E_RNA)
where:
Base-Base interactions energy: -35.880
where: short stacking energy: -25.549
Base-Backbone interact. energy: -0.197
local terms energy: -52.961652
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -236.339551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.339551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.339551 (E_RNA)
where:
Base-Base interactions energy: -158.922
where: short stacking energy: -75.349
Base-Backbone interact. energy: -0.001
local terms energy: -77.415891
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -21.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -233.347497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.347497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.347497 (E_RNA)
where:
Base-Base interactions energy: -151.053
where: short stacking energy: -73.326
Base-Backbone interact. energy: -0.000
local terms energy: -82.294200
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -22.254
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: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -224.452874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.452874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.452874 (E_RNA)
where:
Base-Base interactions energy: -146.379
where: short stacking energy: -71.734
Base-Backbone interact. energy: -0.674
local terms energy: -77.400144
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -221.519669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.519669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.519669 (E_RNA)
where:
Base-Base interactions energy: -147.173
where: short stacking energy: -68.869
Base-Backbone interact. energy: -0.001
local terms energy: -74.345402
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -217.660183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.660183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.660183 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.106
local terms energy: -73.588689
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -20.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -206.689863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.689863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.689863 (E_RNA)
where:
Base-Base interactions energy: -139.928
where: short stacking energy: -62.554
Base-Backbone interact. energy: 0.286
local terms energy: -67.047757
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -8.192
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: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -144.101442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.101442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.101442 (E_RNA)
where:
Base-Base interactions energy: -86.241
where: short stacking energy: -47.530
Base-Backbone interact. energy: 2.743
local terms energy: -60.603031
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -12.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -109.255700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.255700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.255700 (E_RNA)
where:
Base-Base interactions energy: -61.280
where: short stacking energy: -24.281
Base-Backbone interact. energy: 0.592
local terms energy: -48.566956
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -9.514
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: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -100.806967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.806967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.806967 (E_RNA)
where:
Base-Base interactions energy: -40.482
where: short stacking energy: -36.038
Base-Backbone interact. energy: -0.802
local terms energy: -59.522850
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -8.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -92.833674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.833674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.833674 (E_RNA)
where:
Base-Base interactions energy: -49.992
where: short stacking energy: -22.576
Base-Backbone interact. energy: -0.250
local terms energy: -42.592436
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -238.132034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.132034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.132034 (E_RNA)
where:
Base-Base interactions energy: -155.358
where: short stacking energy: -73.377
Base-Backbone interact. energy: -0.174
local terms energy: -82.600640
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -21.315
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: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -229.385371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.385371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.385371 (E_RNA)
where:
Base-Base interactions energy: -159.837
where: short stacking energy: -75.509
Base-Backbone interact. energy: -0.016
local terms energy: -69.532501
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -223.824178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.824178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.824178 (E_RNA)
where:
Base-Base interactions energy: -147.053
where: short stacking energy: -71.156
Base-Backbone interact. energy: -1.467
local terms energy: -75.304090
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -232.803257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.803257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.803257 (E_RNA)
where:
Base-Base interactions energy: -156.504
where: short stacking energy: -69.386
Base-Backbone interact. energy: -0.855
local terms energy: -75.443955
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -212.570422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.570422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.570422 (E_RNA)
where:
Base-Base interactions energy: -144.248
where: short stacking energy: -66.250
Base-Backbone interact. energy: -0.459
local terms energy: -67.862749
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -227.161169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.161169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.161169 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -68.915
Base-Backbone interact. energy: -0.342
local terms energy: -75.504123
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -169.268185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.268185 (E_RNA)
where:
Base-Base interactions energy: -107.956
where: short stacking energy: -45.764
Base-Backbone interact. energy: -0.094
local terms energy: -61.218687
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -11.243
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: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -88.197143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.197143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.197143 (E_RNA)
where:
Base-Base interactions energy: -28.945
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.122
local terms energy: -59.130332
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -11.148
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: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -94.235619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.235619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.235619 (E_RNA)
where:
Base-Base interactions energy: -49.180
where: short stacking energy: -24.294
Base-Backbone interact. energy: -0.306
local terms energy: -44.750163
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -6.817
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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -79.860470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.860470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.860470 (E_RNA)
where:
Base-Base interactions energy: -36.941
where: short stacking energy: -21.107
Base-Backbone interact. energy: -0.373
local terms energy: -42.547398
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -233.124401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.124401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.124401 (E_RNA)
where:
Base-Base interactions energy: -151.681
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.167
local terms energy: -81.276226
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -229.211555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.211555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.211555 (E_RNA)
where:
Base-Base interactions energy: -153.868
where: short stacking energy: -71.807
Base-Backbone interact. energy: -0.939
local terms energy: -74.404579
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -21.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -231.062041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.062041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.062041 (E_RNA)
where:
Base-Base interactions energy: -148.274
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.913
local terms energy: -81.874801
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -221.491060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.491060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.491060 (E_RNA)
where:
Base-Base interactions energy: -147.663
where: short stacking energy: -67.174
Base-Backbone interact. energy: -0.598
local terms energy: -73.230525
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -219.083278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.083278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.083278 (E_RNA)
where:
Base-Base interactions energy: -146.577
where: short stacking energy: -73.111
Base-Backbone interact. energy: -0.404
local terms energy: -72.102156
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -187.640154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.640154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.640154 (E_RNA)
where:
Base-Base interactions energy: -123.140
where: short stacking energy: -64.913
Base-Backbone interact. energy: -0.105
local terms energy: -64.395166
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -86.846725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846725 (E_RNA)
where:
Base-Base interactions energy: -34.035
where: short stacking energy: -26.711
Base-Backbone interact. energy: -0.186
local terms energy: -52.625863
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -10.244
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: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -134.425071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.425071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.425071 (E_RNA)
where:
Base-Base interactions energy: -82.714
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.111
local terms energy: -51.599219
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -7.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -84.015517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.015517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.015517 (E_RNA)
where:
Base-Base interactions energy: -39.010
where: short stacking energy: -31.571
Base-Backbone interact. energy: -1.115
local terms energy: -43.890493
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -10.044
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: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -93.531365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.531365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.531365 (E_RNA)
where:
Base-Base interactions energy: -52.704
where: short stacking energy: -32.677
Base-Backbone interact. energy: -0.064
local terms energy: -40.763621
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -4.485
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -235.529251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.529251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.529251 (E_RNA)
where:
Base-Base interactions energy: -160.354
where: short stacking energy: -74.225
Base-Backbone interact. energy: -0.002
local terms energy: -75.172678
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -21.345
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: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -228.974405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.974405 (E_RNA)
where:
Base-Base interactions energy: -156.368
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.411
local terms energy: -72.196076
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -221.115590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.115590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.115590 (E_RNA)
where:
Base-Base interactions energy: -144.637
where: short stacking energy: -61.522
Base-Backbone interact. energy: -0.111
local terms energy: -76.367944
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -19.718
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: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -221.598817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.598817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.598817 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.004
local terms energy: -79.579777
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -209.032506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.032506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.032506 (E_RNA)
where:
Base-Base interactions energy: -140.408
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.007
local terms energy: -68.617192
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -205.587239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.587239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.587239 (E_RNA)
where:
Base-Base interactions energy: -140.187
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.104
local terms energy: -65.296824
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -10.208
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: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -104.873932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.873932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.873932 (E_RNA)
where:
Base-Base interactions energy: -53.930
where: short stacking energy: -31.219
Base-Backbone interact. energy: -0.201
local terms energy: -50.743213
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -157.327929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.327929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.327929 (E_RNA)
where:
Base-Base interactions energy: -87.956
where: short stacking energy: -37.018
Base-Backbone interact. energy: -0.020
local terms energy: -69.351999
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -12.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -95.623558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.623558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.623558 (E_RNA)
where:
Base-Base interactions energy: -44.329
where: short stacking energy: -23.223
Base-Backbone interact. energy: -0.115
local terms energy: -51.179394
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -6.162
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: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -72.088116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.088116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.088116 (E_RNA)
where:
Base-Base interactions energy: -20.627
where: short stacking energy: -20.627
Base-Backbone interact. energy: -0.048
local terms energy: -51.412654
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: 1.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -239.346727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.346727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.346727 (E_RNA)
where:
Base-Base interactions energy: -162.512
where: short stacking energy: -79.728
Base-Backbone interact. energy: -0.002
local terms energy: -76.831801
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -23.788
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: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -234.615522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.615522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.615522 (E_RNA)
where:
Base-Base interactions energy: -154.238
where: short stacking energy: -74.110
Base-Backbone interact. energy: 0.448
local terms energy: -80.825773
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -21.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -221.594691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.594691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.594691 (E_RNA)
where:
Base-Base interactions energy: -145.036
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.212
local terms energy: -76.347226
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -221.343070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.343070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.343070 (E_RNA)
where:
Base-Base interactions energy: -148.201
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.159
local terms energy: -72.982326
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -213.185863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.185863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.185863 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.650
local terms energy: -74.541455
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -216.913776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.913776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.913776 (E_RNA)
where:
Base-Base interactions energy: -143.522
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.000
local terms energy: -73.391044
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -212.355960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355960 (E_RNA)
where:
Base-Base interactions energy: -141.480
where: short stacking energy: -69.298
Base-Backbone interact. energy: -1.274
local terms energy: -69.601523
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -102.231071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.231071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.231071 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -29.719
Base-Backbone interact. energy: -0.433
local terms energy: -49.763891
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -3.016
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: 9, replica: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -93.003138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.003138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.003138 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -24.067
Base-Backbone interact. energy: -0.701
local terms energy: -53.261367
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -7.768
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: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -74.860721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.860721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.860721 (E_RNA)
where:
Base-Base interactions energy: -27.708
where: short stacking energy: -25.628
Base-Backbone interact. energy: -0.435
local terms energy: -46.717231
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -9.324
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -236.956531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.956531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.956531 (E_RNA)
where:
Base-Base interactions energy: -155.601
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.005
local terms energy: -81.350275
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -22.648
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: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -224.300669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.300669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.300669 (E_RNA)
where:
Base-Base interactions energy: -150.772
where: short stacking energy: -73.700
Base-Backbone interact. energy: -0.537
local terms energy: -72.991359
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -235.572943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.572943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.572943 (E_RNA)
where:
Base-Base interactions energy: -154.432
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.575
local terms energy: -80.565642
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -227.112421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.112421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.112421 (E_RNA)
where:
Base-Base interactions energy: -149.895
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.793
local terms energy: -76.424427
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -224.075571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.075571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.075571 (E_RNA)
where:
Base-Base interactions energy: -149.679
where: short stacking energy: -67.985
Base-Backbone interact. energy: -0.013
local terms energy: -74.383670
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -219.107797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.107797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.107797 (E_RNA)
where:
Base-Base interactions energy: -148.085
where: short stacking energy: -60.608
Base-Backbone interact. energy: -0.610
local terms energy: -70.412455
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -200.895555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.895555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.895555 (E_RNA)
where:
Base-Base interactions energy: -139.190
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.086
local terms energy: -61.619737
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -83.881528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.881528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.881528 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.419
local terms energy: -46.760677
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -77.448966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.448966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.448966 (E_RNA)
where:
Base-Base interactions energy: -29.681
where: short stacking energy: -29.681
Base-Backbone interact. energy: -0.100
local terms energy: -47.667627
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -3.389
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -3.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -76.886887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.886887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.886887 (E_RNA)
where:
Base-Base interactions energy: -25.869
where: short stacking energy: -18.801
Base-Backbone interact. energy: -0.288
local terms energy: -50.730448
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -235.004489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.004489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.004489 (E_RNA)
where:
Base-Base interactions energy: -151.874
where: short stacking energy: -76.764
Base-Backbone interact. energy: -1.335
local terms energy: -81.795222
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -230.931413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.931413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.931413 (E_RNA)
where:
Base-Base interactions energy: -157.239
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.001
local terms energy: -73.691259
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -231.755783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.755783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.755783 (E_RNA)
where:
Base-Base interactions energy: -153.593
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.002
local terms energy: -78.160739
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -224.413733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.413733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.413733 (E_RNA)
where:
Base-Base interactions energy: -150.387
where: short stacking energy: -65.881
Base-Backbone interact. energy: -0.552
local terms energy: -73.474465
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.914
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: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -218.641086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.641086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.641086 (E_RNA)
where:
Base-Base interactions energy: -149.494
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.002
local terms energy: -69.144858
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -213.122665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.122665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.122665 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -67.750
Base-Backbone interact. energy: -0.608
local terms energy: -71.824652
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -193.820533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.820533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.820533 (E_RNA)
where:
Base-Base interactions energy: -133.307
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.615
local terms energy: -59.898055
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -79.456149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.456149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.456149 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -26.313
Base-Backbone interact. energy: -0.169
local terms energy: -52.974142
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -96.389926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.389926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.389926 (E_RNA)
where:
Base-Base interactions energy: -35.281
where: short stacking energy: -35.281
Base-Backbone interact. energy: -0.026
local terms energy: -61.082825
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -75.991096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.991096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.991096 (E_RNA)
where:
Base-Base interactions energy: -33.870
where: short stacking energy: -24.111
Base-Backbone interact. energy: -0.091
local terms energy: -42.030884
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -1.547
tors. eta vs tors. theta energy: -5.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -230.614600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.614600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.614600 (E_RNA)
where:
Base-Base interactions energy: -155.025
where: short stacking energy: -77.514
Base-Backbone interact. energy: -1.433
local terms energy: -74.156247
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -234.665539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.665539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.665539 (E_RNA)
where:
Base-Base interactions energy: -155.298
where: short stacking energy: -73.051
Base-Backbone interact. energy: -0.001
local terms energy: -79.366542
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -22.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -224.340112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.340112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.340112 (E_RNA)
where:
Base-Base interactions energy: -147.327
where: short stacking energy: -71.525
Base-Backbone interact. energy: -0.660
local terms energy: -76.353362
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -17.965
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -208.214359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.214359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.214359 (E_RNA)
where:
Base-Base interactions energy: -135.366
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.080
local terms energy: -72.768888
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -20.432
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -225.611643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.611643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.611643 (E_RNA)
where:
Base-Base interactions energy: -153.428
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.002
local terms energy: -72.181434
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -19.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -214.009025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.009025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.009025 (E_RNA)
where:
Base-Base interactions energy: -153.788
where: short stacking energy: -67.534
Base-Backbone interact. energy: -0.735
local terms energy: -59.486549
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -203.423586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.423586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.423586 (E_RNA)
where:
Base-Base interactions energy: -132.117
where: short stacking energy: -63.568
Base-Backbone interact. energy: 0.640
local terms energy: -71.945979
where:
bonds (distance) C4'-P energy: -6.883
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -102.130589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.130589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.130589 (E_RNA)
where:
Base-Base interactions energy: -41.445
where: short stacking energy: -41.445
Base-Backbone interact. energy: -0.033
local terms energy: -60.652784
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -85.009479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.009479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.009479 (E_RNA)
where:
Base-Base interactions energy: -45.296
where: short stacking energy: -23.816
Base-Backbone interact. energy: 0.856
local terms energy: -40.569344
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -71.521525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.521525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.521525 (E_RNA)
where:
Base-Base interactions energy: -17.965
where: short stacking energy: -13.030
Base-Backbone interact. energy: 0.922
local terms energy: -54.478715
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -12.092
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: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -233.341945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.341945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.341945 (E_RNA)
where:
Base-Base interactions energy: -157.922
where: short stacking energy: -68.489
Base-Backbone interact. energy: -0.000
local terms energy: -75.419281
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -225.536592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.536592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.536592 (E_RNA)
where:
Base-Base interactions energy: -146.792
where: short stacking energy: -73.962
Base-Backbone interact. energy: -2.783
local terms energy: -75.961763
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -229.678868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.678868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.678868 (E_RNA)
where:
Base-Base interactions energy: -151.619
where: short stacking energy: -66.247
Base-Backbone interact. energy: -0.289
local terms energy: -77.770283
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -222.437639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.437639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.437639 (E_RNA)
where:
Base-Base interactions energy: -148.539
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.495
local terms energy: -73.403172
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -209.063192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.063192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.063192 (E_RNA)
where:
Base-Base interactions energy: -139.519
where: short stacking energy: -67.066
Base-Backbone interact. energy: -0.031
local terms energy: -69.512974
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -201.035060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.035060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.035060 (E_RNA)
where:
Base-Base interactions energy: -130.089
where: short stacking energy: -56.332
Base-Backbone interact. energy: -0.027
local terms energy: -70.918843
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -10.094
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: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -198.103596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.103596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.103596 (E_RNA)
where:
Base-Base interactions energy: -132.768
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.380
local terms energy: -64.955546
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -96.411225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.411225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.411225 (E_RNA)
where:
Base-Base interactions energy: -42.105
where: short stacking energy: -38.170
Base-Backbone interact. energy: -0.032
local terms energy: -54.274166
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -6.293
flat angles P-C4'-P energy: -12.571
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: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -91.711513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.711513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.711513 (E_RNA)
where:
Base-Base interactions energy: -35.006
where: short stacking energy: -33.416
Base-Backbone interact. energy: 0.651
local terms energy: -57.356658
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -75.184640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.184640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.184640 (E_RNA)
where:
Base-Base interactions energy: -25.798
where: short stacking energy: -25.872
Base-Backbone interact. energy: -0.224
local terms energy: -49.163063
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -231.643463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.643463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.643463 (E_RNA)
where:
Base-Base interactions energy: -154.394
where: short stacking energy: -68.982
Base-Backbone interact. energy: -0.003
local terms energy: -77.246991
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -229.569012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.569012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.569012 (E_RNA)
where:
Base-Base interactions energy: -152.010
where: short stacking energy: -76.705
Base-Backbone interact. energy: -0.760
local terms energy: -76.799158
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -227.713793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.713793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.713793 (E_RNA)
where:
Base-Base interactions energy: -154.138
where: short stacking energy: -73.704
Base-Backbone interact. energy: -0.054
local terms energy: -73.521988
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -20.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -225.602379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.602379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.602379 (E_RNA)
where:
Base-Base interactions energy: -148.686
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.258
local terms energy: -76.657773
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -214.056074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.056074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.056074 (E_RNA)
where:
Base-Base interactions energy: -144.863
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.479
local terms energy: -68.713953
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -214.412405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.412405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.412405 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -66.631
Base-Backbone interact. energy: -0.005
local terms energy: -75.237432
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -21.659
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: 247
Temperature: 1.200000
Total energy: -175.434969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.434969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.434969 (E_RNA)
where:
Base-Base interactions energy: -115.704
where: short stacking energy: -57.670
Base-Backbone interact. energy: -0.026
local terms energy: -59.704781
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -95.327087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.327087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.327087 (E_RNA)
where:
Base-Base interactions energy: -44.796
where: short stacking energy: -26.956
Base-Backbone interact. energy: -0.066
local terms energy: -50.465125
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -8.978
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -91.250033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.250033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.250033 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -34.525
Base-Backbone interact. energy: -0.001
local terms energy: -51.108299
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -91.844235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.844235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.844235 (E_RNA)
where:
Base-Base interactions energy: -41.277
where: short stacking energy: -27.729
Base-Backbone interact. energy: -0.145
local terms energy: -50.421976
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -229.290656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.290656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.290656 (E_RNA)
where:
Base-Base interactions energy: -148.313
where: short stacking energy: -74.585
Base-Backbone interact. energy: -0.345
local terms energy: -80.633254
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -231.399997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.399997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.399997 (E_RNA)
where:
Base-Base interactions energy: -148.322
where: short stacking energy: -70.570
Base-Backbone interact. energy: -0.486
local terms energy: -82.591803
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -21.061
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: 248
Temperature: 1.000000
Total energy: -219.903977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.903977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.903977 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.719
local terms energy: -73.836153
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.872
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: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -220.875877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.875877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.875877 (E_RNA)
where:
Base-Base interactions energy: -148.686
where: short stacking energy: -67.389
Base-Backbone interact. energy: -0.007
local terms energy: -72.183494
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -210.522298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.522298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.522298 (E_RNA)
where:
Base-Base interactions energy: -142.439
where: short stacking energy: -61.237
Base-Backbone interact. energy: -1.078
local terms energy: -67.005598
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -10.069
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: 248
Temperature: 1.150000
Total energy: -210.169415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.169415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.169415 (E_RNA)
where:
Base-Base interactions energy: -140.118
where: short stacking energy: -66.723
Base-Backbone interact. energy: -0.045
local terms energy: -70.006194
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -19.254
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: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -179.406613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.406613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.406613 (E_RNA)
where:
Base-Base interactions energy: -120.646
where: short stacking energy: -52.152
Base-Backbone interact. energy: 0.095
local terms energy: -58.855284
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -14.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -82.611773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.611773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.611773 (E_RNA)
where:
Base-Base interactions energy: -35.095
where: short stacking energy: -34.347
Base-Backbone interact. energy: -0.096
local terms energy: -47.421141
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -7.457
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -84.688852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.688852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.688852 (E_RNA)
where:
Base-Base interactions energy: -27.569
where: short stacking energy: -27.569
Base-Backbone interact. energy: -0.058
local terms energy: -57.061474
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -84.219529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.219529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.219529 (E_RNA)
where:
Base-Base interactions energy: -35.507
where: short stacking energy: -29.973
Base-Backbone interact. energy: -0.136
local terms energy: -48.576478
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -228.911787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.911787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.911787 (E_RNA)
where:
Base-Base interactions energy: -147.802
where: short stacking energy: -74.217
Base-Backbone interact. energy: -1.451
local terms energy: -79.658567
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -22.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -226.765696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.765696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.765696 (E_RNA)
where:
Base-Base interactions energy: -154.750
where: short stacking energy: -74.366
Base-Backbone interact. energy: -0.202
local terms energy: -71.813708
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -237.881117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.881117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.881117 (E_RNA)
where:
Base-Base interactions energy: -159.565
where: short stacking energy: -75.960
Base-Backbone interact. energy: -0.593
local terms energy: -77.722834
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -232.666927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.666927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.666927 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -76.308
Base-Backbone interact. energy: -0.310
local terms energy: -76.250050
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -21.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -205.897788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.897788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.897788 (E_RNA)
where:
Base-Base interactions energy: -132.730
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.023
local terms energy: -73.145332
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -213.894146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.894146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.894146 (E_RNA)
where:
Base-Base interactions energy: -136.920
where: short stacking energy: -64.595
Base-Backbone interact. energy: -1.195
local terms energy: -75.778970
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -20.147
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: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -198.710598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.710598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.710598 (E_RNA)
where:
Base-Base interactions energy: -131.692
where: short stacking energy: -65.896
Base-Backbone interact. energy: 0.608
local terms energy: -67.626227
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -97.633351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.633351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.633351 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.426
local terms energy: -52.325080
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -3.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -91.517129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.517129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.517129 (E_RNA)
where:
Base-Base interactions energy: -52.893
where: short stacking energy: -15.687
Base-Backbone interact. energy: -0.263
local terms energy: -38.360884
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: 1.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -80.892135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.892135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.892135 (E_RNA)
where:
Base-Base interactions energy: -33.327
where: short stacking energy: -33.327
Base-Backbone interact. energy: 0.493
local terms energy: -48.057895
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -5.387
tors. eta vs tors. theta energy: -3.803
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: 250
Temperature: 0.900000
Total energy: -235.470474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.470474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.470474 (E_RNA)
where:
Base-Base interactions energy: -158.852
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.023
local terms energy: -76.594875
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -21.044
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: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -224.144461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.144461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.144461 (E_RNA)
where:
Base-Base interactions energy: -142.270
where: short stacking energy: -69.347
Base-Backbone interact. energy: -0.931
local terms energy: -80.943807
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -228.760374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.760374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.760374 (E_RNA)
where:
Base-Base interactions energy: -154.668
where: short stacking energy: -74.140
Base-Backbone interact. energy: -0.005
local terms energy: -74.087484
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -8.448
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -22.902
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: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -223.798795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.798795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.798795 (E_RNA)
where:
Base-Base interactions energy: -147.369
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.016
local terms energy: -76.414055
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -213.282297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.282297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.282297 (E_RNA)
where:
Base-Base interactions energy: -147.810
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.069
local terms energy: -65.403721
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -5.947
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -201.900362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.900362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.900362 (E_RNA)
where:
Base-Base interactions energy: -136.300
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.146
local terms energy: -65.454689
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -215.339845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.339845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.339845 (E_RNA)
where:
Base-Base interactions energy: -143.082
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.039
local terms energy: -72.219169
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -7.643
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: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -109.904407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.904407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.904407 (E_RNA)
where:
Base-Base interactions energy: -57.095
where: short stacking energy: -31.832
Base-Backbone interact. energy: -0.108
local terms energy: -52.701381
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -8.961
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -75.132184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.132184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.132184 (E_RNA)
where:
Base-Base interactions energy: -26.538
where: short stacking energy: -26.375
Base-Backbone interact. energy: -0.450
local terms energy: -48.144703
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -9.421
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: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -82.199136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.199136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.199136 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.189
local terms energy: -42.616776
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: 5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -234.123538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.123538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.123538 (E_RNA)
where:
Base-Base interactions energy: -152.797
where: short stacking energy: -72.509
Base-Backbone interact. energy: -0.006
local terms energy: -81.320943
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -237.434217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.434217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.434217 (E_RNA)
where:
Base-Base interactions energy: -157.133
where: short stacking energy: -72.765
Base-Backbone interact. energy: -0.420
local terms energy: -79.881593
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -10.853
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: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -225.450940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.450940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.450940 (E_RNA)
where:
Base-Base interactions energy: -149.604
where: short stacking energy: -70.388
Base-Backbone interact. energy: -0.486
local terms energy: -75.361065
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -225.461546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.461546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.461546 (E_RNA)
where:
Base-Base interactions energy: -155.230
where: short stacking energy: -76.624
Base-Backbone interact. energy: -0.008
local terms energy: -70.224042
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -217.746238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.746238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.746238 (E_RNA)
where:
Base-Base interactions energy: -146.601
where: short stacking energy: -66.940
Base-Backbone interact. energy: 0.295
local terms energy: -71.440088
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -21.131
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: 251
Temperature: 1.150000
Total energy: -203.903825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.903825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.903825 (E_RNA)
where:
Base-Base interactions energy: -137.954
where: short stacking energy: -60.367
Base-Backbone interact. energy: -0.115
local terms energy: -65.835012
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -207.399619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.399619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.399619 (E_RNA)
where:
Base-Base interactions energy: -136.472
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.002
local terms energy: -70.925951
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -106.964656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.964656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.964656 (E_RNA)
where:
Base-Base interactions energy: -48.392
where: short stacking energy: -31.584
Base-Backbone interact. energy: 0.580
local terms energy: -59.152337
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -79.344300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.344300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.344300 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -14.008
Base-Backbone interact. energy: -0.245
local terms energy: -50.373892
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -80.760537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.760537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.760537 (E_RNA)
where:
Base-Base interactions energy: -31.656
where: short stacking energy: -29.961
Base-Backbone interact. energy: -0.205
local terms energy: -48.899653
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -237.850576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.850576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.850576 (E_RNA)
where:
Base-Base interactions energy: -152.701
where: short stacking energy: -75.485
Base-Backbone interact. energy: -0.023
local terms energy: -85.127252
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -234.928866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.928866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.928866 (E_RNA)
where:
Base-Base interactions energy: -151.299
where: short stacking energy: -69.445
Base-Backbone interact. energy: -0.856
local terms energy: -82.774044
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -227.885204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.885204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.885204 (E_RNA)
where:
Base-Base interactions energy: -152.479
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.002
local terms energy: -75.403739
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -214.142905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.142905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.142905 (E_RNA)
where:
Base-Base interactions energy: -140.318
where: short stacking energy: -54.447
Base-Backbone interact. energy: -0.455
local terms energy: -73.370415
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -17.910
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: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -222.709221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.709221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.709221 (E_RNA)
where:
Base-Base interactions energy: -151.231
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.023
local terms energy: -71.455242
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -220.917695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.917695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.917695 (E_RNA)
where:
Base-Base interactions energy: -142.434
where: short stacking energy: -66.924
Base-Backbone interact. energy: -0.001
local terms energy: -78.482223
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -14.468
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: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -207.932742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.932742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.932742 (E_RNA)
where:
Base-Base interactions energy: -140.339
where: short stacking energy: -63.389
Base-Backbone interact. energy: -0.007
local terms energy: -67.586809
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -7.480
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: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -90.070395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.070395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.070395 (E_RNA)
where:
Base-Base interactions energy: -28.074
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.208
local terms energy: -61.788538
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -101.838933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.838933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.838933 (E_RNA)
where:
Base-Base interactions energy: -40.181
where: short stacking energy: -36.352
Base-Backbone interact. energy: 0.663
local terms energy: -62.320952
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -79.103561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.103561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.103561 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -23.267
Base-Backbone interact. energy: -0.005
local terms energy: -47.742772
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -9.927
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: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -240.951176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.951176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.951176 (E_RNA)
where:
Base-Base interactions energy: -161.226
where: short stacking energy: -78.095
Base-Backbone interact. energy: 0.977
local terms energy: -80.701849
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -227.924459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.924459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.924459 (E_RNA)
where:
Base-Base interactions energy: -157.526
where: short stacking energy: -74.654
Base-Backbone interact. energy: -0.007
local terms energy: -70.391282
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -236.061668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.061668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.061668 (E_RNA)
where:
Base-Base interactions energy: -158.211
where: short stacking energy: -74.160
Base-Backbone interact. energy: -0.004
local terms energy: -77.847255
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -227.209430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.209430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.209430 (E_RNA)
where:
Base-Base interactions energy: -147.187
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.849
local terms energy: -79.172618
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -212.483096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.483096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.483096 (E_RNA)
where:
Base-Base interactions energy: -137.491
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.094
local terms energy: -74.898079
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -215.998725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.998725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.998725 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -67.409
Base-Backbone interact. energy: -0.223
local terms energy: -69.141178
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -197.592692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.592692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.592692 (E_RNA)
where:
Base-Base interactions energy: -129.062
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.745
local terms energy: -67.784812
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -119.780424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.780424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.780424 (E_RNA)
where:
Base-Base interactions energy: -67.416
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.066
local terms energy: -52.298341
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -85.523538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.523538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.523538 (E_RNA)
where:
Base-Base interactions energy: -25.760
where: short stacking energy: -25.760
Base-Backbone interact. energy: -0.026
local terms energy: -59.737803
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -10.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -76.580238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.580238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.580238 (E_RNA)
where:
Base-Base interactions energy: -25.270
where: short stacking energy: -25.270
Base-Backbone interact. energy: -0.257
local terms energy: -51.053776
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -246.273941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.273941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.273941 (E_RNA)
where:
Base-Base interactions energy: -159.076
where: short stacking energy: -77.294
Base-Backbone interact. energy: -0.283
local terms energy: -86.915644
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -23.435
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: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -226.583593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.583593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.583593 (E_RNA)
where:
Base-Base interactions energy: -144.595
where: short stacking energy: -70.097
Base-Backbone interact. energy: -0.579
local terms energy: -81.410008
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -13.555
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: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -218.740496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.740496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.740496 (E_RNA)
where:
Base-Base interactions energy: -145.079
where: short stacking energy: -65.599
Base-Backbone interact. energy: -0.059
local terms energy: -73.602533
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -11.631
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: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -223.126084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.126084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.126084 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -65.522
Base-Backbone interact. energy: -0.943
local terms energy: -74.399511
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -212.467940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.467940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.467940 (E_RNA)
where:
Base-Base interactions energy: -132.505
where: short stacking energy: -61.431
Base-Backbone interact. energy: -0.283
local terms energy: -79.680689
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -20.504
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: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -203.665835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.665835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.665835 (E_RNA)
where:
Base-Base interactions energy: -139.896
where: short stacking energy: -65.138
Base-Backbone interact. energy: -0.012
local terms energy: -63.758313
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -6.329
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -187.739065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.739065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.739065 (E_RNA)
where:
Base-Base interactions energy: -126.810
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.324
local terms energy: -60.605176
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -10.777
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: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -96.391404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.391404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.391404 (E_RNA)
where:
Base-Base interactions energy: -42.171
where: short stacking energy: -42.171
Base-Backbone interact. energy: -0.198
local terms energy: -54.022782
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -95.274465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.274465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.274465 (E_RNA)
where:
Base-Base interactions energy: -40.877
where: short stacking energy: -26.401
Base-Backbone interact. energy: -0.078
local terms energy: -54.319728
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -8.425
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: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -77.908792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.908792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.908792 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -31.622
Base-Backbone interact. energy: 1.443
local terms energy: -47.729946
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -3.120
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: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -235.635973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.635973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.635973 (E_RNA)
where:
Base-Base interactions energy: -151.676
where: short stacking energy: -69.593
Base-Backbone interact. energy: 0.904
local terms energy: -84.864288
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -224.826915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.826915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.826915 (E_RNA)
where:
Base-Base interactions energy: -152.374
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.040
local terms energy: -72.413376
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -12.882
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: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -227.418051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.418051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.418051 (E_RNA)
where:
Base-Base interactions energy: -148.397
where: short stacking energy: -74.353
Base-Backbone interact. energy: 0.207
local terms energy: -79.227893
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -228.985292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.985292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.985292 (E_RNA)
where:
Base-Base interactions energy: -153.712
where: short stacking energy: -68.259
Base-Backbone interact. energy: -0.096
local terms energy: -75.176920
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -192.161624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.161624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.161624 (E_RNA)
where:
Base-Base interactions energy: -121.818
where: short stacking energy: -62.187
Base-Backbone interact. energy: -1.256
local terms energy: -69.087101
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -214.054530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.054530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.054530 (E_RNA)
where:
Base-Base interactions energy: -141.681
where: short stacking energy: -63.478
Base-Backbone interact. energy: 0.567
local terms energy: -72.940607
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -159.148389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.148389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.148389 (E_RNA)
where:
Base-Base interactions energy: -89.636
where: short stacking energy: -36.625
Base-Backbone interact. energy: -0.710
local terms energy: -68.802016
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -10.562
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: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -88.980362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.980362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.980362 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -26.107
Base-Backbone interact. energy: -0.180
local terms energy: -57.387735
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -118.553694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.553694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.553694 (E_RNA)
where:
Base-Base interactions energy: -70.479
where: short stacking energy: -35.900
Base-Backbone interact. energy: 1.141
local terms energy: -49.215601
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -8.698
flat angles P-C4'-P energy: -11.176
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: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -76.364907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.364907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.364907 (E_RNA)
where:
Base-Base interactions energy: -23.355
where: short stacking energy: -22.126
Base-Backbone interact. energy: -0.633
local terms energy: -52.376504
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -227.530930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.530930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.530930 (E_RNA)
where:
Base-Base interactions energy: -156.113
where: short stacking energy: -69.599
Base-Backbone interact. energy: -0.095
local terms energy: -71.323293
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -232.205105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.205105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.205105 (E_RNA)
where:
Base-Base interactions energy: -158.325
where: short stacking energy: -77.035
Base-Backbone interact. energy: -0.309
local terms energy: -73.571053
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -23.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -224.582931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.582931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.582931 (E_RNA)
where:
Base-Base interactions energy: -149.110
where: short stacking energy: -66.190
Base-Backbone interact. energy: 0.014
local terms energy: -75.486111
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -216.863616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.863616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.863616 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.234
local terms energy: -71.307718
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -214.624615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.624615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.624615 (E_RNA)
where:
Base-Base interactions energy: -145.884
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.158
local terms energy: -68.582469
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -197.389083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.389083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.389083 (E_RNA)
where:
Base-Base interactions energy: -129.205
where: short stacking energy: -50.506
Base-Backbone interact. energy: -0.026
local terms energy: -68.157336
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -125.191947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.191947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.191947 (E_RNA)
where:
Base-Base interactions energy: -73.354
where: short stacking energy: -29.690
Base-Backbone interact. energy: -0.190
local terms energy: -51.647779
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -132.718960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.718960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.718960 (E_RNA)
where:
Base-Base interactions energy: -67.036
where: short stacking energy: -41.648
Base-Backbone interact. energy: -0.007
local terms energy: -65.675631
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -78.946949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.946949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.946949 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.205
local terms energy: -45.207403
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -8.157
flat angles P-C4'-P energy: -11.117
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: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -77.832142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.832142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.832142 (E_RNA)
where:
Base-Base interactions energy: -34.292
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.057
local terms energy: -43.483398
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -0.046
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: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -236.794418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.794418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.794418 (E_RNA)
where:
Base-Base interactions energy: -157.919
where: short stacking energy: -72.446
Base-Backbone interact. energy: 0.341
local terms energy: -79.216866
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -232.790263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.790263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.790263 (E_RNA)
where:
Base-Base interactions energy: -156.049
where: short stacking energy: -68.917
Base-Backbone interact. energy: -0.582
local terms energy: -76.159442
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -222.561160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.561160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.561160 (E_RNA)
where:
Base-Base interactions energy: -148.467
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.039
local terms energy: -74.054839
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -232.166634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.166634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.166634 (E_RNA)
where:
Base-Base interactions energy: -155.121
where: short stacking energy: -75.381
Base-Backbone interact. energy: -0.005
local terms energy: -77.040915
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -224.098062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.098062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.098062 (E_RNA)
where:
Base-Base interactions energy: -150.937
where: short stacking energy: -69.984
Base-Backbone interact. energy: 0.432
local terms energy: -73.593387
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -23.824
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: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -199.638617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.638617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.638617 (E_RNA)
where:
Base-Base interactions energy: -137.017
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.214
local terms energy: -62.408061
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -9.679
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: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -170.998019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.998019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.998019 (E_RNA)
where:
Base-Base interactions energy: -100.588
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.050
local terms energy: -70.360040
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -8.984
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: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -96.096364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.096364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.096364 (E_RNA)
where:
Base-Base interactions energy: -41.772
where: short stacking energy: -34.634
Base-Backbone interact. energy: -0.109
local terms energy: -54.215928
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -6.422
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -110.804908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.804908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.804908 (E_RNA)
where:
Base-Base interactions energy: -61.091
where: short stacking energy: -33.841
Base-Backbone interact. energy: -0.090
local terms energy: -49.623229
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -9.792
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -7.715
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: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -90.035222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.035222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.035222 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -35.269
Base-Backbone interact. energy: 0.560
local terms energy: -53.812845
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: 0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -234.386162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.386162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.386162 (E_RNA)
where:
Base-Base interactions energy: -155.759
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.657
local terms energy: -77.969739
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -239.952590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.952590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.952590 (E_RNA)
where:
Base-Base interactions energy: -158.698
where: short stacking energy: -78.925
Base-Backbone interact. energy: -0.829
local terms energy: -80.425491
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -222.899042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.899042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.899042 (E_RNA)
where:
Base-Base interactions energy: -149.735
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.296
local terms energy: -72.868456
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -225.368689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.368689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.368689 (E_RNA)
where:
Base-Base interactions energy: -156.223
where: short stacking energy: -72.536
Base-Backbone interact. energy: 0.311
local terms energy: -69.456652
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -224.099667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.099667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.099667 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -65.707
Base-Backbone interact. energy: 0.929
local terms energy: -82.031023
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -21.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -190.889168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.889168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.889168 (E_RNA)
where:
Base-Base interactions energy: -129.189
where: short stacking energy: -60.089
Base-Backbone interact. energy: -0.182
local terms energy: -61.518701
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -13.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -157.645479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.645479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.645479 (E_RNA)
where:
Base-Base interactions energy: -101.564
where: short stacking energy: -45.859
Base-Backbone interact. energy: -0.046
local terms energy: -56.035395
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -5.122
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: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -80.340008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.340008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.340008 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -35.677
Base-Backbone interact. energy: -0.063
local terms energy: -44.599830
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: 0.038
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -88.266546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266546 (E_RNA)
where:
Base-Base interactions energy: -38.734
where: short stacking energy: -33.215
Base-Backbone interact. energy: -0.126
local terms energy: -49.406084
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -83.814584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.814584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.814584 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -30.600
Base-Backbone interact. energy: -0.067
local terms energy: -50.186742
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -238.732053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.732053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.732053 (E_RNA)
where:
Base-Base interactions energy: -162.606
where: short stacking energy: -73.953
Base-Backbone interact. energy: -0.056
local terms energy: -76.069737
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -20.268
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: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -225.419696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.419696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.419696 (E_RNA)
where:
Base-Base interactions energy: -154.833
where: short stacking energy: -68.988
Base-Backbone interact. energy: -0.236
local terms energy: -70.350510
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -16.134
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: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -225.015381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.015381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.015381 (E_RNA)
where:
Base-Base interactions energy: -149.578
where: short stacking energy: -69.149
Base-Backbone interact. energy: -0.002
local terms energy: -75.435099
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -219.019624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.019624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.019624 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -67.831
Base-Backbone interact. energy: -0.865
local terms energy: -72.165205
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -214.737181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.737181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.737181 (E_RNA)
where:
Base-Base interactions energy: -148.210
where: short stacking energy: -63.310
Base-Backbone interact. energy: -1.079
local terms energy: -65.448341
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.901
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: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -212.621909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.621909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.621909 (E_RNA)
where:
Base-Base interactions energy: -137.466
where: short stacking energy: -59.785
Base-Backbone interact. energy: -1.516
local terms energy: -73.639778
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -196.870917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.870917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.870917 (E_RNA)
where:
Base-Base interactions energy: -127.463
where: short stacking energy: -56.084
Base-Backbone interact. energy: -0.168
local terms energy: -69.240203
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.530
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: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -84.234874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.234874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.234874 (E_RNA)
where:
Base-Base interactions energy: -32.225
where: short stacking energy: -23.143
Base-Backbone interact. energy: 0.021
local terms energy: -52.030823
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -83.580859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.580859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.580859 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -22.352
Base-Backbone interact. energy: -0.122
local terms energy: -51.863472
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -13.166
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: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -77.814674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.814674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.814674 (E_RNA)
where:
Base-Base interactions energy: -26.114
where: short stacking energy: -17.406
Base-Backbone interact. energy: -0.584
local terms energy: -51.115955
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: 4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -234.462693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.462693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.462693 (E_RNA)
where:
Base-Base interactions energy: -152.241
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.027
local terms energy: -82.194324
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -226.843896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.843896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.843896 (E_RNA)
where:
Base-Base interactions energy: -147.875
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.002
local terms energy: -78.966164
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -220.621721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.621721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.621721 (E_RNA)
where:
Base-Base interactions energy: -147.038
where: short stacking energy: -71.547
Base-Backbone interact. energy: -0.854
local terms energy: -72.729010
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -223.953944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.953944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.953944 (E_RNA)
where:
Base-Base interactions energy: -152.957
where: short stacking energy: -70.498
Base-Backbone interact. energy: -0.101
local terms energy: -70.895848
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -19.210
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -225.070254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.070254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.070254 (E_RNA)
where:
Base-Base interactions energy: -145.313
where: short stacking energy: -70.986
Base-Backbone interact. energy: -1.758
local terms energy: -77.999044
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -235.109491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.109491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.109491 (E_RNA)
where:
Base-Base interactions energy: -153.205
where: short stacking energy: -76.379
Base-Backbone interact. energy: -0.219
local terms energy: -81.685705
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -23.992
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: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -190.431368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.431368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.431368 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -55.141
Base-Backbone interact. energy: -0.011
local terms energy: -57.150574
where:
bonds (distance) C4'-P energy: -9.617
bonds (distance) P-C4' energy: -8.208
flat angles C4'-P-C4' energy: -9.119
flat angles P-C4'-P energy: -12.583
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: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -81.374035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.374035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.374035 (E_RNA)
where:
Base-Base interactions energy: -32.892
where: short stacking energy: -21.678
Base-Backbone interact. energy: -0.489
local terms energy: -47.993852
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: 2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -81.086950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.086950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.086950 (E_RNA)
where:
Base-Base interactions energy: -32.252
where: short stacking energy: -31.997
Base-Backbone interact. energy: 1.674
local terms energy: -50.509297
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -69.930089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.930089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.930089 (E_RNA)
where:
Base-Base interactions energy: -21.530
where: short stacking energy: -21.497
Base-Backbone interact. energy: -0.101
local terms energy: -48.298807
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -233.234261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.234261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.234261 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -71.594
Base-Backbone interact. energy: -0.017
local terms energy: -78.686105
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -20.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -233.784113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.784113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.784113 (E_RNA)
where:
Base-Base interactions energy: -162.539
where: short stacking energy: -77.084
Base-Backbone interact. energy: -0.001
local terms energy: -71.244083
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -21.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -225.896238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.896238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.896238 (E_RNA)
where:
Base-Base interactions energy: -150.555
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.010
local terms energy: -75.330850
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -217.742513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.742513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.742513 (E_RNA)
where:
Base-Base interactions energy: -138.604
where: short stacking energy: -66.912
Base-Backbone interact. energy: -1.232
local terms energy: -77.906872
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -223.413560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.413560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.413560 (E_RNA)
where:
Base-Base interactions energy: -152.633
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.014
local terms energy: -70.766490
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -215.770909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.770909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.770909 (E_RNA)
where:
Base-Base interactions energy: -138.975
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.075
local terms energy: -76.721485
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -192.989956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.989956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.989956 (E_RNA)
where:
Base-Base interactions energy: -130.701
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.077
local terms energy: -62.212309
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -13.331
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: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -86.917508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.917508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.917508 (E_RNA)
where:
Base-Base interactions energy: -33.418
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.836
local terms energy: -52.663376
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -88.481422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.481422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.481422 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -18.331
Base-Backbone interact. energy: -0.028
local terms energy: -49.042724
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -74.077748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.077748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.077748 (E_RNA)
where:
Base-Base interactions energy: -32.069
where: short stacking energy: -18.495
Base-Backbone interact. energy: -0.861
local terms energy: -41.147131
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -8.926
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: 5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -220.035542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.035542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.035542 (E_RNA)
where:
Base-Base interactions energy: -144.943
where: short stacking energy: -72.953
Base-Backbone interact. energy: -0.607
local terms energy: -74.485260
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -233.131944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.131944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.131944 (E_RNA)
where:
Base-Base interactions energy: -151.227
where: short stacking energy: -68.612
Base-Backbone interact. energy: 0.159
local terms energy: -82.063885
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -21.658
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: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -220.276837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.276837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.276837 (E_RNA)
where:
Base-Base interactions energy: -141.350
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.717
local terms energy: -78.209917
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -22.889
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: 9
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -229.607761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.607761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.607761 (E_RNA)
where:
Base-Base interactions energy: -153.462
where: short stacking energy: -70.266
Base-Backbone interact. energy: -0.597
local terms energy: -75.548329
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -210.451245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.451245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.451245 (E_RNA)
where:
Base-Base interactions energy: -145.391
where: short stacking energy: -66.500
Base-Backbone interact. energy: 0.103
local terms energy: -65.162761
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -206.548105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.548105 (E_RNA)
where:
Base-Base interactions energy: -145.846
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.800
local terms energy: -59.902230
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -106.692256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.692256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.692256 (E_RNA)
where:
Base-Base interactions energy: -45.367
where: short stacking energy: -45.367
Base-Backbone interact. energy: -0.100
local terms energy: -61.225579
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -177.210148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.210148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.210148 (E_RNA)
where:
Base-Base interactions energy: -120.091
where: short stacking energy: -54.819
Base-Backbone interact. energy: -0.032
local terms energy: -57.087339
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -81.870845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.870845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.870845 (E_RNA)
where:
Base-Base interactions energy: -39.733
where: short stacking energy: -33.084
Base-Backbone interact. energy: -0.390
local terms energy: -41.747839
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -83.054079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.054079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.054079 (E_RNA)
where:
Base-Base interactions energy: -29.105
where: short stacking energy: -29.105
Base-Backbone interact. energy: -0.042
local terms energy: -53.907467
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -226.372378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.372378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.372378 (E_RNA)
where:
Base-Base interactions energy: -144.644
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.014
local terms energy: -81.714349
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -230.096204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.096204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.096204 (E_RNA)
where:
Base-Base interactions energy: -155.181
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.003
local terms energy: -74.912196
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -218.087102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.087102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.087102 (E_RNA)
where:
Base-Base interactions energy: -145.843
where: short stacking energy: -68.193
Base-Backbone interact. energy: -1.346
local terms energy: -70.898200
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -227.133772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.133772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.133772 (E_RNA)
where:
Base-Base interactions energy: -152.509
where: short stacking energy: -70.954
Base-Backbone interact. energy: -0.010
local terms energy: -74.614457
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -206.159554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.159554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.159554 (E_RNA)
where:
Base-Base interactions energy: -140.270
where: short stacking energy: -58.554
Base-Backbone interact. energy: -0.045
local terms energy: -65.844382
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -18.951
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: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -215.120929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.120929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.120929 (E_RNA)
where:
Base-Base interactions energy: -143.856
where: short stacking energy: -60.636
Base-Backbone interact. energy: 0.737
local terms energy: -72.002110
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -93.951357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.951357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.951357 (E_RNA)
where:
Base-Base interactions energy: -40.978
where: short stacking energy: -39.565
Base-Backbone interact. energy: 0.087
local terms energy: -53.060954
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -3.785
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -164.575269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.575269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.575269 (E_RNA)
where:
Base-Base interactions energy: -107.594
where: short stacking energy: -50.356
Base-Backbone interact. energy: 0.369
local terms energy: -57.349942
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -13.480
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: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -88.595019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.595019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.595019 (E_RNA)
where:
Base-Base interactions energy: -32.604
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.121
local terms energy: -55.869957
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -74.388514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.388514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.388514 (E_RNA)
where:
Base-Base interactions energy: -25.054
where: short stacking energy: -14.473
Base-Backbone interact. energy: -0.043
local terms energy: -49.291337
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -237.723979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.723979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.723979 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -72.098
Base-Backbone interact. energy: -0.467
local terms energy: -80.888320
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -21.850
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: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -226.190170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.190170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.190170 (E_RNA)
where:
Base-Base interactions energy: -151.536
where: short stacking energy: -73.410
Base-Backbone interact. energy: -0.051
local terms energy: -74.603312
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -222.997190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.997190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.997190 (E_RNA)
where:
Base-Base interactions energy: -148.450
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.001
local terms energy: -74.546293
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -209.532403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.532403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.532403 (E_RNA)
where:
Base-Base interactions energy: -131.882
where: short stacking energy: -58.506
Base-Backbone interact. energy: -0.389
local terms energy: -77.262182
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -222.695324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.695324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.695324 (E_RNA)
where:
Base-Base interactions energy: -152.333
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.860
local terms energy: -69.502449
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -225.980409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.980409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.980409 (E_RNA)
where:
Base-Base interactions energy: -142.740
where: short stacking energy: -67.028
Base-Backbone interact. energy: 0.541
local terms energy: -83.781597
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -179.632134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.632134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.632134 (E_RNA)
where:
Base-Base interactions energy: -116.367
where: short stacking energy: -54.603
Base-Backbone interact. energy: -0.128
local terms energy: -63.137595
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -80.895844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.895844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.895844 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -30.941
Base-Backbone interact. energy: -0.441
local terms energy: -42.806237
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -111.662034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.662034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.662034 (E_RNA)
where:
Base-Base interactions energy: -62.083
where: short stacking energy: -31.773
Base-Backbone interact. energy: 0.211
local terms energy: -49.790242
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -8.261
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -82.011947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.011947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.011947 (E_RNA)
where:
Base-Base interactions energy: -34.241
where: short stacking energy: -34.241
Base-Backbone interact. energy: -0.058
local terms energy: -47.713240
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -2.963
tors. eta vs tors. theta energy: -7.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -237.055650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.055650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.055650 (E_RNA)
where:
Base-Base interactions energy: -161.458
where: short stacking energy: -76.108
Base-Backbone interact. energy: -0.042
local terms energy: -75.556483
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -20.606
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: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -225.893142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.893142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.893142 (E_RNA)
where:
Base-Base interactions energy: -148.166
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.005
local terms energy: -77.722464
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -230.036283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.036283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.036283 (E_RNA)
where:
Base-Base interactions energy: -148.663
where: short stacking energy: -67.521
Base-Backbone interact. energy: -0.632
local terms energy: -80.741181
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -220.322591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.322591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.322591 (E_RNA)
where:
Base-Base interactions energy: -140.626
where: short stacking energy: -65.988
Base-Backbone interact. energy: -0.027
local terms energy: -79.669676
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -221.675885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.675885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.675885 (E_RNA)
where:
Base-Base interactions energy: -146.161
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.005
local terms energy: -75.509295
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -19.451
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: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -209.815559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.815559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.815559 (E_RNA)
where:
Base-Base interactions energy: -133.016
where: short stacking energy: -59.261
Base-Backbone interact. energy: 0.362
local terms energy: -77.161923
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -176.810338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.810338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.810338 (E_RNA)
where:
Base-Base interactions energy: -107.016
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.002
local terms energy: -69.792590
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -119.233437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.233437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.233437 (E_RNA)
where:
Base-Base interactions energy: -72.490
where: short stacking energy: -37.764
Base-Backbone interact. energy: 0.160
local terms energy: -46.903105
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -6.026
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: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -87.608119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.608119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.608119 (E_RNA)
where:
Base-Base interactions energy: -29.731
where: short stacking energy: -29.731
Base-Backbone interact. energy: 0.473
local terms energy: -58.349834
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -83.976693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.976693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.976693 (E_RNA)
where:
Base-Base interactions energy: -39.087
where: short stacking energy: -39.003
Base-Backbone interact. energy: -0.071
local terms energy: -44.818652
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -6.456
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -242.727620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.727620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.727620 (E_RNA)
where:
Base-Base interactions energy: -156.362
where: short stacking energy: -74.628
Base-Backbone interact. energy: -0.023
local terms energy: -86.343147
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -228.389168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.389168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.389168 (E_RNA)
where:
Base-Base interactions energy: -151.029
where: short stacking energy: -71.182
Base-Backbone interact. energy: -0.038
local terms energy: -77.321206
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -227.759830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.759830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.759830 (E_RNA)
where:
Base-Base interactions energy: -156.909
where: short stacking energy: -71.903
Base-Backbone interact. energy: -0.015
local terms energy: -70.835956
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -226.285781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.285781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.285781 (E_RNA)
where:
Base-Base interactions energy: -150.898
where: short stacking energy: -69.598
Base-Backbone interact. energy: -0.081
local terms energy: -75.306661
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -214.945337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.945337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.945337 (E_RNA)
where:
Base-Base interactions energy: -135.602
where: short stacking energy: -64.487
Base-Backbone interact. energy: -0.577
local terms energy: -78.766170
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -22.823
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: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -205.996523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.996523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.996523 (E_RNA)
where:
Base-Base interactions energy: -135.506
where: short stacking energy: -59.806
Base-Backbone interact. energy: 0.635
local terms energy: -71.125947
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -6.690
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: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -199.782655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.782655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.782655 (E_RNA)
where:
Base-Base interactions energy: -130.441
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.341
local terms energy: -69.001017
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.006
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: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -139.821756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.821756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.821756 (E_RNA)
where:
Base-Base interactions energy: -88.324
where: short stacking energy: -43.302
Base-Backbone interact. energy: -0.226
local terms energy: -51.271630
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -84.382222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.382222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.382222 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -13.765
Base-Backbone interact. energy: -0.249
local terms energy: -51.129500
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -2.678
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: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -77.219661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.219661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.219661 (E_RNA)
where:
Base-Base interactions energy: -19.627
where: short stacking energy: -19.627
Base-Backbone interact. energy: -0.093
local terms energy: -57.499066
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -1.716
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: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -239.463512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.463512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.463512 (E_RNA)
where:
Base-Base interactions energy: -160.254
where: short stacking energy: -70.636
Base-Backbone interact. energy: 1.882
local terms energy: -81.091358
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -233.872733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.872733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.872733 (E_RNA)
where:
Base-Base interactions energy: -155.827
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.018
local terms energy: -78.027472
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -21.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -227.633049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.633049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.633049 (E_RNA)
where:
Base-Base interactions energy: -151.366
where: short stacking energy: -64.784
Base-Backbone interact. energy: -0.071
local terms energy: -76.196357
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.307
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: 4, replica: 2
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -225.515751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.515751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.515751 (E_RNA)
where:
Base-Base interactions energy: -155.930
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.024
local terms energy: -69.561568
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -224.769091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.769091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.769091 (E_RNA)
where:
Base-Base interactions energy: -148.133
where: short stacking energy: -72.945
Base-Backbone interact. energy: -0.038
local terms energy: -76.598109
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -199.469973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.469973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.469973 (E_RNA)
where:
Base-Base interactions energy: -131.076
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.180
local terms energy: -68.213665
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.675
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: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -207.507752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.507752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.507752 (E_RNA)
where:
Base-Base interactions energy: -130.352
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.636
local terms energy: -76.520287
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -12.479
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: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -85.298857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.298857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.298857 (E_RNA)
where:
Base-Base interactions energy: -31.550
where: short stacking energy: -31.550
Base-Backbone interact. energy: -0.139
local terms energy: -53.609690
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -5.491
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: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -84.066846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.066846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.066846 (E_RNA)
where:
Base-Base interactions energy: -29.208
where: short stacking energy: -23.206
Base-Backbone interact. energy: -0.210
local terms energy: -54.649192
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -83.744656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.744656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.744656 (E_RNA)
where:
Base-Base interactions energy: -28.751
where: short stacking energy: -28.039
Base-Backbone interact. energy: 1.884
local terms energy: -56.877547
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -227.528520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.528520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.528520 (E_RNA)
where:
Base-Base interactions energy: -146.103
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.005
local terms energy: -81.421003
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -227.105508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.105508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.105508 (E_RNA)
where:
Base-Base interactions energy: -146.960
where: short stacking energy: -65.506
Base-Backbone interact. energy: -0.645
local terms energy: -79.500525
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.911
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: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -234.718596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.718596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.718596 (E_RNA)
where:
Base-Base interactions energy: -155.240
where: short stacking energy: -77.463
Base-Backbone interact. energy: -0.006
local terms energy: -79.472845
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -23.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -225.211371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.211371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.211371 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.121
local terms energy: -77.089756
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -21.229
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: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -217.302204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.302204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.302204 (E_RNA)
where:
Base-Base interactions energy: -145.318
where: short stacking energy: -68.800
Base-Backbone interact. energy: -0.004
local terms energy: -71.980125
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -175.657299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.657299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.657299 (E_RNA)
where:
Base-Base interactions energy: -102.559
where: short stacking energy: -48.200
Base-Backbone interact. energy: -0.290
local terms energy: -72.808076
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -10.066
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: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -182.461786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.461786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.461786 (E_RNA)
where:
Base-Base interactions energy: -124.629
where: short stacking energy: -61.690
Base-Backbone interact. energy: 0.314
local terms energy: -58.146262
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -7.805
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: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -104.035208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.035208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.035208 (E_RNA)
where:
Base-Base interactions energy: -43.446
where: short stacking energy: -37.608
Base-Backbone interact. energy: -0.823
local terms energy: -59.766353
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -99.256730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.256730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.256730 (E_RNA)
where:
Base-Base interactions energy: -41.961
where: short stacking energy: -41.961
Base-Backbone interact. energy: -0.001
local terms energy: -57.294977
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -74.322140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.322140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.322140 (E_RNA)
where:
Base-Base interactions energy: -25.014
where: short stacking energy: -23.882
Base-Backbone interact. energy: -0.074
local terms energy: -49.234160
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: 1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -237.306992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.306992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.306992 (E_RNA)
where:
Base-Base interactions energy: -152.592
where: short stacking energy: -79.425
Base-Backbone interact. energy: -0.002
local terms energy: -84.713260
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -231.121992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.121992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.121992 (E_RNA)
where:
Base-Base interactions energy: -153.164
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.003
local terms energy: -77.955246
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -235.826587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.826587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.826587 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -77.563
Base-Backbone interact. energy: -0.003
local terms energy: -81.666900
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -229.332745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.332745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.332745 (E_RNA)
where:
Base-Base interactions energy: -150.300
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.126
local terms energy: -78.906054
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -18.910
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: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -222.440512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440512 (E_RNA)
where:
Base-Base interactions energy: -149.992
where: short stacking energy: -69.345
Base-Backbone interact. energy: 0.362
local terms energy: -72.811172
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -9.497
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: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -189.726023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.726023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.726023 (E_RNA)
where:
Base-Base interactions energy: -120.116
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.287
local terms energy: -69.322654
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -205.077629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077629 (E_RNA)
where:
Base-Base interactions energy: -137.501
where: short stacking energy: -60.265
Base-Backbone interact. energy: -0.023
local terms energy: -67.553531
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -8.356
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -86.376578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.376578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.376578 (E_RNA)
where:
Base-Base interactions energy: -30.018
where: short stacking energy: -30.018
Base-Backbone interact. energy: 0.460
local terms energy: -56.819432
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -89.410693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.410693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.410693 (E_RNA)
where:
Base-Base interactions energy: -45.632
where: short stacking energy: -33.765
Base-Backbone interact. energy: -0.099
local terms energy: -43.679288
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -88.191577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.191577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.191577 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -29.773
Base-Backbone interact. energy: -0.001
local terms energy: -58.417533
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -236.066447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.066447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.066447 (E_RNA)
where:
Base-Base interactions energy: -160.949
where: short stacking energy: -76.363
Base-Backbone interact. energy: -0.017
local terms energy: -75.100438
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -235.434520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.434520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.434520 (E_RNA)
where:
Base-Base interactions energy: -156.421
where: short stacking energy: -74.555
Base-Backbone interact. energy: -0.677
local terms energy: -78.336724
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -229.732198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.732198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.732198 (E_RNA)
where:
Base-Base interactions energy: -157.164
where: short stacking energy: -73.208
Base-Backbone interact. energy: -0.069
local terms energy: -72.498938
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -19.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -226.888905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.888905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.888905 (E_RNA)
where:
Base-Base interactions energy: -146.761
where: short stacking energy: -68.522
Base-Backbone interact. energy: 1.113
local terms energy: -81.240483
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -11.676
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: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -218.356670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.356670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.356670 (E_RNA)
where:
Base-Base interactions energy: -148.501
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.077
local terms energy: -69.778596
where:
bonds (distance) C4'-P energy: -6.431
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -11.973
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: 6, replica: 10
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -182.761286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.761286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.761286 (E_RNA)
where:
Base-Base interactions energy: -119.825
where: short stacking energy: -59.591
Base-Backbone interact. energy: 1.209
local terms energy: -64.144952
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -10.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -210.979064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.979064 (E_RNA)
where:
Base-Base interactions energy: -142.697
where: short stacking energy: -59.572
Base-Backbone interact. energy: 0.405
local terms energy: -68.687032
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -80.005150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.005150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.005150 (E_RNA)
where:
Base-Base interactions energy: -29.909
where: short stacking energy: -27.742
Base-Backbone interact. energy: 0.987
local terms energy: -51.082989
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -8.362
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -1.539
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: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -89.021236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.021236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.021236 (E_RNA)
where:
Base-Base interactions energy: -33.587
where: short stacking energy: -33.587
Base-Backbone interact. energy: -0.273
local terms energy: -55.161459
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -1.743
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: 270
Temperature: 1.350000
Total energy: -74.655385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.655385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.655385 (E_RNA)
where:
Base-Base interactions energy: -19.756
where: short stacking energy: -19.756
Base-Backbone interact. energy: -0.143
local terms energy: -54.755867
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -235.561562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.561562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.561562 (E_RNA)
where:
Base-Base interactions energy: -153.765
where: short stacking energy: -73.111
Base-Backbone interact. energy: -0.022
local terms energy: -81.774985
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -233.637022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.637022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.637022 (E_RNA)
where:
Base-Base interactions energy: -155.330
where: short stacking energy: -73.197
Base-Backbone interact. energy: -0.001
local terms energy: -78.306010
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -11.056
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: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -219.356590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.356590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.356590 (E_RNA)
where:
Base-Base interactions energy: -138.130
where: short stacking energy: -64.132
Base-Backbone interact. energy: -0.045
local terms energy: -81.181522
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -221.212714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.212714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.212714 (E_RNA)
where:
Base-Base interactions energy: -148.986
where: short stacking energy: -72.839
Base-Backbone interact. energy: -0.001
local terms energy: -72.225008
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -215.083583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.083583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.083583 (E_RNA)
where:
Base-Base interactions energy: -142.417
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.002
local terms energy: -72.664943
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -201.236342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.236342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.236342 (E_RNA)
where:
Base-Base interactions energy: -133.367
where: short stacking energy: -56.905
Base-Backbone interact. energy: -0.037
local terms energy: -67.832263
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -192.038303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.038303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.038303 (E_RNA)
where:
Base-Base interactions energy: -126.976
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.004
local terms energy: -65.058381
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -83.521664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.521664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.521664 (E_RNA)
where:
Base-Base interactions energy: -31.444
where: short stacking energy: -17.434
Base-Backbone interact. energy: -0.121
local terms energy: -51.957147
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -4.049
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: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -74.842542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.842542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.842542 (E_RNA)
where:
Base-Base interactions energy: -33.362
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.057
local terms energy: -41.423851
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -79.029608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.029608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.029608 (E_RNA)
where:
Base-Base interactions energy: -34.478
where: short stacking energy: -21.878
Base-Backbone interact. energy: -0.124
local terms energy: -44.427951
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -7.078
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: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -232.690744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.690744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.690744 (E_RNA)
where:
Base-Base interactions energy: -154.388
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.011
local terms energy: -78.291204
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -225.370687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.370687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.370687 (E_RNA)
where:
Base-Base interactions energy: -149.610
where: short stacking energy: -67.262
Base-Backbone interact. energy: -0.152
local terms energy: -75.608658
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -13.813
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: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -224.753000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.753000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.753000 (E_RNA)
where:
Base-Base interactions energy: -150.071
where: short stacking energy: -69.595
Base-Backbone interact. energy: -0.087
local terms energy: -74.594218
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -17.912
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: 272
Temperature: 1.050000
Total energy: -226.904209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.904209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.904209 (E_RNA)
where:
Base-Base interactions energy: -157.843
where: short stacking energy: -73.170
Base-Backbone interact. energy: -0.199
local terms energy: -68.861271
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -214.758957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.758957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.758957 (E_RNA)
where:
Base-Base interactions energy: -141.389
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.249
local terms energy: -73.121171
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -12.977
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: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -206.502567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.502567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.502567 (E_RNA)
where:
Base-Base interactions energy: -134.452
where: short stacking energy: -59.719
Base-Backbone interact. energy: -0.004
local terms energy: -72.046412
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -181.594243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.594243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.594243 (E_RNA)
where:
Base-Base interactions energy: -118.368
where: short stacking energy: -59.501
Base-Backbone interact. energy: -0.663
local terms energy: -62.563084
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -86.400610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.400610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.400610 (E_RNA)
where:
Base-Base interactions energy: -31.614
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.097
local terms energy: -54.689435
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -6.385
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: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -80.623356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.623356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.623356 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.088
local terms energy: -47.335943
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -79.720894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.720894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.720894 (E_RNA)
where:
Base-Base interactions energy: -30.857
where: short stacking energy: -18.261
Base-Backbone interact. energy: -0.020
local terms energy: -48.843521
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.998
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: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -235.234712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.234712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.234712 (E_RNA)
where:
Base-Base interactions energy: -155.250
where: short stacking energy: -76.182
Base-Backbone interact. energy: 0.562
local terms energy: -80.546125
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -228.055074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.055074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.055074 (E_RNA)
where:
Base-Base interactions energy: -156.372
where: short stacking energy: -72.626
Base-Backbone interact. energy: -0.125
local terms energy: -71.558116
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -233.277811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.277811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.277811 (E_RNA)
where:
Base-Base interactions energy: -151.185
where: short stacking energy: -74.788
Base-Backbone interact. energy: -0.698
local terms energy: -81.395634
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -221.392966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.392966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.392966 (E_RNA)
where:
Base-Base interactions energy: -151.025
where: short stacking energy: -63.184
Base-Backbone interact. energy: -0.318
local terms energy: -70.050678
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -219.788515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.788515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.788515 (E_RNA)
where:
Base-Base interactions energy: -146.454
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.992
local terms energy: -72.341616
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -6.246
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -13.914
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -210.694924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.694924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.694924 (E_RNA)
where:
Base-Base interactions energy: -148.727
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.650
local terms energy: -61.318134
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -12.743
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: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -190.379248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.379248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.379248 (E_RNA)
where:
Base-Base interactions energy: -124.398
where: short stacking energy: -54.961
Base-Backbone interact. energy: 1.230
local terms energy: -67.211555
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -98.809117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.809117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.809117 (E_RNA)
where:
Base-Base interactions energy: -42.510
where: short stacking energy: -42.510
Base-Backbone interact. energy: -0.165
local terms energy: -56.134680
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -7.144
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: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -87.686190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.686190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.686190 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.032
local terms energy: -54.610419
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -79.207318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.207318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.207318 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -33.768
Base-Backbone interact. energy: -0.179
local terms energy: -45.260312
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -2.733
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: 1, replica: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -243.476541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.476541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.476541 (E_RNA)
where:
Base-Base interactions energy: -159.096
where: short stacking energy: -74.687
Base-Backbone interact. energy: 0.097
local terms energy: -84.477285
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -22.268
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: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -233.598192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.598192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.598192 (E_RNA)
where:
Base-Base interactions energy: -157.298
where: short stacking energy: -75.732
Base-Backbone interact. energy: -0.039
local terms energy: -76.261437
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -220.217682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.217682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.217682 (E_RNA)
where:
Base-Base interactions energy: -149.573
where: short stacking energy: -70.675
Base-Backbone interact. energy: -0.074
local terms energy: -70.571168
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -18.433
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: 274
Temperature: 1.050000
Total energy: -222.460954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.460954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.460954 (E_RNA)
where:
Base-Base interactions energy: -148.703
where: short stacking energy: -67.649
Base-Backbone interact. energy: -0.010
local terms energy: -73.748302
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -200.740821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.740821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.740821 (E_RNA)
where:
Base-Base interactions energy: -133.843
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.167
local terms energy: -66.730402
where:
bonds (distance) C4'-P energy: -8.526
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -219.338628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.338628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.338628 (E_RNA)
where:
Base-Base interactions energy: -139.646
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.584
local terms energy: -79.108307
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -200.659757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.659757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.659757 (E_RNA)
where:
Base-Base interactions energy: -144.026
where: short stacking energy: -59.301
Base-Backbone interact. energy: -0.358
local terms energy: -56.275284
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -97.107770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.107770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.107770 (E_RNA)
where:
Base-Base interactions energy: -40.304
where: short stacking energy: -40.304
Base-Backbone interact. energy: -0.003
local terms energy: -56.801251
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -88.128368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.128368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.128368 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -37.018
Base-Backbone interact. energy: -0.061
local terms energy: -49.621274
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -6.638
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -78.218988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.218988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.218988 (E_RNA)
where:
Base-Base interactions energy: -27.969
where: short stacking energy: -25.575
Base-Backbone interact. energy: -0.144
local terms energy: -50.106244
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -233.642645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.642645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.642645 (E_RNA)
where:
Base-Base interactions energy: -157.675
where: short stacking energy: -74.954
Base-Backbone interact. energy: -0.010
local terms energy: -75.957747
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -225.948770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.948770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.948770 (E_RNA)
where:
Base-Base interactions energy: -146.049
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.667
local terms energy: -79.232609
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -21.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -239.390292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.390292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.390292 (E_RNA)
where:
Base-Base interactions energy: -157.158
where: short stacking energy: -77.081
Base-Backbone interact. energy: -0.002
local terms energy: -82.229432
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -216.780068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.780068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.780068 (E_RNA)
where:
Base-Base interactions energy: -142.229
where: short stacking energy: -67.841
Base-Backbone interact. energy: -0.180
local terms energy: -74.370553
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -210.639684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.639684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.639684 (E_RNA)
where:
Base-Base interactions energy: -137.981
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.001
local terms energy: -72.657411
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -14.209
tors. eta vs tors. theta energy: -18.772
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: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -209.596381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.596381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.596381 (E_RNA)
where:
Base-Base interactions energy: -142.067
where: short stacking energy: -65.278
Base-Backbone interact. energy: -0.006
local terms energy: -67.522802
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -200.945421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.945421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.945421 (E_RNA)
where:
Base-Base interactions energy: -137.129
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.249
local terms energy: -63.567255
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -2.582
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -98.515680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.515680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.515680 (E_RNA)
where:
Base-Base interactions energy: -49.768
where: short stacking energy: -30.626
Base-Backbone interact. energy: 1.990
local terms energy: -50.737606
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.655
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: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -79.560581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.560581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.560581 (E_RNA)
where:
Base-Base interactions energy: -33.933
where: short stacking energy: -26.146
Base-Backbone interact. energy: -0.205
local terms energy: -45.422623
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -75.732020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.732020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.732020 (E_RNA)
where:
Base-Base interactions energy: -29.157
where: short stacking energy: -17.096
Base-Backbone interact. energy: -0.244
local terms energy: -46.331079
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -9.156
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: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -233.024387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.024387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.024387 (E_RNA)
where:
Base-Base interactions energy: -157.739
where: short stacking energy: -63.281
Base-Backbone interact. energy: -0.609
local terms energy: -74.675641
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -236.297569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.297569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.297569 (E_RNA)
where:
Base-Base interactions energy: -161.114
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.007
local terms energy: -75.175761
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -11.368
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: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -228.535514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.535514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535514 (E_RNA)
where:
Base-Base interactions energy: -150.928
where: short stacking energy: -76.660
Base-Backbone interact. energy: -0.001
local terms energy: -77.606930
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -217.295137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.295137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.295137 (E_RNA)
where:
Base-Base interactions energy: -144.987
where: short stacking energy: -61.242
Base-Backbone interact. energy: -0.229
local terms energy: -72.078937
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -10.862
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: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -212.137003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.137003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.137003 (E_RNA)
where:
Base-Base interactions energy: -144.164
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.556
local terms energy: -67.417282
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -11.602
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: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -210.381370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.381370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.381370 (E_RNA)
where:
Base-Base interactions energy: -133.908
where: short stacking energy: -62.860
Base-Backbone interact. energy: -1.185
local terms energy: -75.289127
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -202.473439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.473439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.473439 (E_RNA)
where:
Base-Base interactions energy: -130.020
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.365
local terms energy: -72.088697
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -112.741454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.741454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.741454 (E_RNA)
where:
Base-Base interactions energy: -61.384
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.101
local terms energy: -51.256698
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -91.735700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735700 (E_RNA)
where:
Base-Base interactions energy: -37.777
where: short stacking energy: -37.777
Base-Backbone interact. energy: -0.002
local terms energy: -53.957070
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -89.628831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.628831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.628831 (E_RNA)
where:
Base-Base interactions energy: -48.836
where: short stacking energy: -29.808
Base-Backbone interact. energy: -0.145
local terms energy: -40.647949
where:
bonds (distance) C4'-P energy: -8.174
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -2.959
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -231.017214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.017214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.017214 (E_RNA)
where:
Base-Base interactions energy: -151.960
where: short stacking energy: -71.027
Base-Backbone interact. energy: -0.453
local terms energy: -78.604421
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -6.540
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: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -223.219062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.219062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.219062 (E_RNA)
where:
Base-Base interactions energy: -148.482
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.004
local terms energy: -74.733142
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -221.812345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.812345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.812345 (E_RNA)
where:
Base-Base interactions energy: -139.721
where: short stacking energy: -69.057
Base-Backbone interact. energy: -0.021
local terms energy: -82.070293
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -221.979632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.979632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.979632 (E_RNA)
where:
Base-Base interactions energy: -148.181
where: short stacking energy: -67.618
Base-Backbone interact. energy: -0.002
local terms energy: -73.796996
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -19.354
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: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -218.609249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.609249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.609249 (E_RNA)
where:
Base-Base interactions energy: -145.972
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.030
local terms energy: -72.607193
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -23.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -202.544462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.544462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.544462 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -58.617
Base-Backbone interact. energy: -1.103
local terms energy: -68.026643
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -16.786
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: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -210.960256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.960256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.960256 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -62.309
Base-Backbone interact. energy: -0.739
local terms energy: -70.741496
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.956
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: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -89.415106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415106 (E_RNA)
where:
Base-Base interactions energy: -33.043
where: short stacking energy: -33.043
Base-Backbone interact. energy: -0.018
local terms energy: -56.353667
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -78.016820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.016820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.016820 (E_RNA)
where:
Base-Base interactions energy: -42.683
where: short stacking energy: -16.064
Base-Backbone interact. energy: -0.342
local terms energy: -34.992356
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -2.204
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -78.709229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.709229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.709229 (E_RNA)
where:
Base-Base interactions energy: -22.573
where: short stacking energy: -22.117
Base-Backbone interact. energy: -0.113
local terms energy: -56.023605
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -11.680
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: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -240.341871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.341871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.341871 (E_RNA)
where:
Base-Base interactions energy: -159.855
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.284
local terms energy: -80.203324
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -18.265
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: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -233.101940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.101940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101940 (E_RNA)
where:
Base-Base interactions energy: -161.288
where: short stacking energy: -72.784
Base-Backbone interact. energy: 0.028
local terms energy: -71.841722
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -231.034613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.034613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.034613 (E_RNA)
where:
Base-Base interactions energy: -149.094
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.156
local terms energy: -81.784867
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -215.279586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.279586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.279586 (E_RNA)
where:
Base-Base interactions energy: -148.884
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.444
local terms energy: -65.951485
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -218.400917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.400917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.400917 (E_RNA)
where:
Base-Base interactions energy: -145.623
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.093
local terms energy: -72.685100
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -184.524891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.524891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.524891 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.041
local terms energy: -58.715533
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -198.178513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.178513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.178513 (E_RNA)
where:
Base-Base interactions energy: -125.863
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.002
local terms energy: -72.312964
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -90.523188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.523188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.523188 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -34.501
Base-Backbone interact. energy: 3.099
local terms energy: -59.120422
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -89.503219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503219 (E_RNA)
where:
Base-Base interactions energy: -40.817
where: short stacking energy: -37.780
Base-Backbone interact. energy: 0.162
local terms energy: -48.848024
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: 2.089
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -92.459286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.459286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.459286 (E_RNA)
where:
Base-Base interactions energy: -39.131
where: short stacking energy: -39.131
Base-Backbone interact. energy: -0.117
local terms energy: -53.211753
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -228.279878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.279878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.279878 (E_RNA)
where:
Base-Base interactions energy: -149.606
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.497
local terms energy: -78.177212
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -232.658867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.658867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.658867 (E_RNA)
where:
Base-Base interactions energy: -154.030
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.518
local terms energy: -78.111075
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -223.714200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.714200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.714200 (E_RNA)
where:
Base-Base interactions energy: -145.385
where: short stacking energy: -69.818
Base-Backbone interact. energy: 0.058
local terms energy: -78.386597
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -23.132
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: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -216.933064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.933064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.933064 (E_RNA)
where:
Base-Base interactions energy: -143.062
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.018
local terms energy: -73.853978
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -220.057571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.057571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.057571 (E_RNA)
where:
Base-Base interactions energy: -147.808
where: short stacking energy: -66.679
Base-Backbone interact. energy: -0.229
local terms energy: -72.021001
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -11.632
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: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -211.934769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.934769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.934769 (E_RNA)
where:
Base-Base interactions energy: -138.420
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.221
local terms energy: -73.293238
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -20.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -166.238673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.238673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.238673 (E_RNA)
where:
Base-Base interactions energy: -102.497
where: short stacking energy: -50.360
Base-Backbone interact. energy: -0.766
local terms energy: -62.976328
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -9.868
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: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -88.901413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.901413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.901413 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -34.091
Base-Backbone interact. energy: 1.145
local terms energy: -55.955056
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -6.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -84.152173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152173 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -31.628
Base-Backbone interact. energy: -0.024
local terms energy: -49.599960
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -8.193
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: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -88.412240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.412240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.412240 (E_RNA)
where:
Base-Base interactions energy: -47.906
where: short stacking energy: -19.957
Base-Backbone interact. energy: 0.069
local terms energy: -40.574850
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: 2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -236.832826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.832826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.832826 (E_RNA)
where:
Base-Base interactions energy: -157.418
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.004
local terms energy: -79.410563
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -22.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -227.538193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.538193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538193 (E_RNA)
where:
Base-Base interactions energy: -155.498
where: short stacking energy: -70.855
Base-Backbone interact. energy: -0.219
local terms energy: -71.821104
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -230.416528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.416528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.416528 (E_RNA)
where:
Base-Base interactions energy: -149.551
where: short stacking energy: -73.187
Base-Backbone interact. energy: -0.280
local terms energy: -80.585417
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -215.320051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.320051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.320051 (E_RNA)
where:
Base-Base interactions energy: -140.716
where: short stacking energy: -66.748
Base-Backbone interact. energy: -0.541
local terms energy: -74.063662
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.257
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: 280
Temperature: 1.100000
Total energy: -221.245817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.245817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.245817 (E_RNA)
where:
Base-Base interactions energy: -144.620
where: short stacking energy: -66.980
Base-Backbone interact. energy: -0.236
local terms energy: -76.390373
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -215.098100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.098100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.098100 (E_RNA)
where:
Base-Base interactions energy: -142.696
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.083
local terms energy: -72.318864
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -22.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -151.450921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.450921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.450921 (E_RNA)
where:
Base-Base interactions energy: -93.840
where: short stacking energy: -43.469
Base-Backbone interact. energy: -0.147
local terms energy: -57.463918
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.682
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: 280
Temperature: 1.250000
Total energy: -73.262748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.262748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.262748 (E_RNA)
where:
Base-Base interactions energy: -25.850
where: short stacking energy: -25.850
Base-Backbone interact. energy: -0.193
local terms energy: -47.219118
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: 1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -83.321650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.321650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.321650 (E_RNA)
where:
Base-Base interactions energy: -28.871
where: short stacking energy: -28.871
Base-Backbone interact. energy: -0.394
local terms energy: -54.056572
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -87.026477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.026477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.026477 (E_RNA)
where:
Base-Base interactions energy: -43.642
where: short stacking energy: -21.265
Base-Backbone interact. energy: -0.220
local terms energy: -43.164054
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: 2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -234.450811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.450811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.450811 (E_RNA)
where:
Base-Base interactions energy: -153.165
where: short stacking energy: -74.156
Base-Backbone interact. energy: -0.001
local terms energy: -81.285146
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -22.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -234.093566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.093566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.093566 (E_RNA)
where:
Base-Base interactions energy: -156.875
where: short stacking energy: -71.115
Base-Backbone interact. energy: -0.123
local terms energy: -77.095622
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -227.140066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.140066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.140066 (E_RNA)
where:
Base-Base interactions energy: -153.057
where: short stacking energy: -70.201
Base-Backbone interact. energy: 0.439
local terms energy: -74.522365
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -229.870841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.870841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.870841 (E_RNA)
where:
Base-Base interactions energy: -154.239
where: short stacking energy: -76.532
Base-Backbone interact. energy: -0.046
local terms energy: -75.585821
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -215.828171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.828171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.828171 (E_RNA)
where:
Base-Base interactions energy: -148.404
where: short stacking energy: -73.981
Base-Backbone interact. energy: -0.304
local terms energy: -67.120216
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -12.401
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: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -157.229930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.229930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.229930 (E_RNA)
where:
Base-Base interactions energy: -87.480
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.639
local terms energy: -69.111005
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -13.058
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: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -207.463234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.463234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.463234 (E_RNA)
where:
Base-Base interactions energy: -136.572
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.038
local terms energy: -70.853983
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -96.572173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572173 (E_RNA)
where:
Base-Base interactions energy: -44.684
where: short stacking energy: -21.334
Base-Backbone interact. energy: -0.293
local terms energy: -51.594823
where:
bonds (distance) C4'-P energy: -7.703
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -4.055
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: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -91.291763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.291763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.291763 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.046
local terms energy: -54.800643
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -72.917653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.917653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.917653 (E_RNA)
where:
Base-Base interactions energy: -22.774
where: short stacking energy: -22.774
Base-Backbone interact. energy: 4.050
local terms energy: -54.193046
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -233.341031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.341031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.341031 (E_RNA)
where:
Base-Base interactions energy: -158.855
where: short stacking energy: -69.948
Base-Backbone interact. energy: 0.849
local terms energy: -75.335658
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -239.193568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.193568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.193568 (E_RNA)
where:
Base-Base interactions energy: -163.166
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.819
local terms energy: -75.209367
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -229.070437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.070437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.070437 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -69.453
Base-Backbone interact. energy: -0.860
local terms energy: -81.008830
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -221.602958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.602958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.602958 (E_RNA)
where:
Base-Base interactions energy: -147.264
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.631
local terms energy: -73.708116
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -21.267
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: 282
Temperature: 1.100000
Total energy: -214.789408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.789408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.789408 (E_RNA)
where:
Base-Base interactions energy: -136.900
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.012
local terms energy: -77.877333
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -110.879490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.879490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.879490 (E_RNA)
where:
Base-Base interactions energy: -45.088
where: short stacking energy: -45.088
Base-Backbone interact. energy: 0.180
local terms energy: -65.971033
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -10.865
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: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -213.648042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.648042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.648042 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -69.095
Base-Backbone interact. energy: 0.559
local terms energy: -67.417365
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -90.074367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.074367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.074367 (E_RNA)
where:
Base-Base interactions energy: -50.451
where: short stacking energy: -23.669
Base-Backbone interact. energy: 1.251
local terms energy: -40.874481
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: 3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -101.349746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.349746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.349746 (E_RNA)
where:
Base-Base interactions energy: -37.178
where: short stacking energy: -35.620
Base-Backbone interact. energy: -0.011
local terms energy: -64.160195
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -78.678742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.678742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.678742 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.573
local terms energy: -51.365678
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.699
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -234.771909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.771909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.771909 (E_RNA)
where:
Base-Base interactions energy: -158.677
where: short stacking energy: -72.429
Base-Backbone interact. energy: -0.016
local terms energy: -76.078943
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -227.620414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.620414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.620414 (E_RNA)
where:
Base-Base interactions energy: -152.945
where: short stacking energy: -72.542
Base-Backbone interact. energy: 2.019
local terms energy: -76.694920
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -226.979063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.979063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.979063 (E_RNA)
where:
Base-Base interactions energy: -154.503
where: short stacking energy: -68.744
Base-Backbone interact. energy: -0.004
local terms energy: -72.471366
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -222.730191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.730191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.730191 (E_RNA)
where:
Base-Base interactions energy: -148.802
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.018
local terms energy: -73.910306
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -219.476928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.476928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.476928 (E_RNA)
where:
Base-Base interactions energy: -143.963
where: short stacking energy: -62.958
Base-Backbone interact. energy: -0.034
local terms energy: -75.479344
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -212.872719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.872719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.872719 (E_RNA)
where:
Base-Base interactions energy: -142.294
where: short stacking energy: -69.082
Base-Backbone interact. energy: -0.113
local terms energy: -70.465547
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -103.263329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.263329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.263329 (E_RNA)
where:
Base-Base interactions energy: -46.480
where: short stacking energy: -45.424
Base-Backbone interact. energy: 1.023
local terms energy: -57.805646
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -93.970137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.970137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.970137 (E_RNA)
where:
Base-Base interactions energy: -40.872
where: short stacking energy: -28.707
Base-Backbone interact. energy: -0.206
local terms energy: -52.891781
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -90.906757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.906757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.906757 (E_RNA)
where:
Base-Base interactions energy: -45.323
where: short stacking energy: -33.265
Base-Backbone interact. energy: 0.723
local terms energy: -46.306340
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -6.176
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -79.790876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.790876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.790876 (E_RNA)
where:
Base-Base interactions energy: -32.690
where: short stacking energy: -18.977
Base-Backbone interact. energy: -0.274
local terms energy: -46.826573
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -237.623388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.623388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.623388 (E_RNA)
where:
Base-Base interactions energy: -155.251
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.122
local terms energy: -82.250227
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -230.055558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.055558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.055558 (E_RNA)
where:
Base-Base interactions energy: -148.592
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.106
local terms energy: -81.357465
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -12.189
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: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -225.837406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.837406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.837406 (E_RNA)
where:
Base-Base interactions energy: -153.347
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.001
local terms energy: -72.489474
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -21.044
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: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -223.257405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.257405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.257405 (E_RNA)
where:
Base-Base interactions energy: -154.533
where: short stacking energy: -72.304
Base-Backbone interact. energy: -0.001
local terms energy: -68.723577
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -219.182896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.182896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.182896 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.004
local terms energy: -70.866222
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -21.184
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: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -209.131688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.131688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.131688 (E_RNA)
where:
Base-Base interactions energy: -143.818
where: short stacking energy: -63.326
Base-Backbone interact. energy: -0.032
local terms energy: -65.281548
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -108.023815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.023815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.023815 (E_RNA)
where:
Base-Base interactions energy: -58.508
where: short stacking energy: -41.607
Base-Backbone interact. energy: 1.741
local terms energy: -51.256541
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -83.634428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.634428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.634428 (E_RNA)
where:
Base-Base interactions energy: -35.305
where: short stacking energy: -25.272
Base-Backbone interact. energy: -0.195
local terms energy: -48.134479
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: 1.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -74.045248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.045248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.045248 (E_RNA)
where:
Base-Base interactions energy: -30.305
where: short stacking energy: -28.956
Base-Backbone interact. energy: -0.987
local terms energy: -42.752715
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -0.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -76.013585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.013585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.013585 (E_RNA)
where:
Base-Base interactions energy: -32.186
where: short stacking energy: -32.186
Base-Backbone interact. energy: -0.118
local terms energy: -43.709187
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -240.392963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.392963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.392963 (E_RNA)
where:
Base-Base interactions energy: -159.129
where: short stacking energy: -77.848
Base-Backbone interact. energy: -0.018
local terms energy: -81.246122
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -21.511
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: 285
Temperature: 0.950000
Total energy: -239.267751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.267751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.267751 (E_RNA)
where:
Base-Base interactions energy: -162.152
where: short stacking energy: -74.191
Base-Backbone interact. energy: -0.335
local terms energy: -76.780827
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -20.998
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -228.662331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.662331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.662331 (E_RNA)
where:
Base-Base interactions energy: -153.646
where: short stacking energy: -70.960
Base-Backbone interact. energy: -0.001
local terms energy: -75.015568
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -19.741
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: 285
Temperature: 1.050000
Total energy: -219.556430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.556430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.556430 (E_RNA)
where:
Base-Base interactions energy: -144.068
where: short stacking energy: -69.871
Base-Backbone interact. energy: -0.031
local terms energy: -75.456838
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -216.933556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.933556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.933556 (E_RNA)
where:
Base-Base interactions energy: -142.240
where: short stacking energy: -64.213
Base-Backbone interact. energy: -0.044
local terms energy: -74.650112
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -209.657189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.657189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.657189 (E_RNA)
where:
Base-Base interactions energy: -140.821
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.445
local terms energy: -68.390924
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -101.140419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.140419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.140419 (E_RNA)
where:
Base-Base interactions energy: -41.777
where: short stacking energy: -29.995
Base-Backbone interact. energy: 0.653
local terms energy: -60.015686
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -85.817607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.817607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.817607 (E_RNA)
where:
Base-Base interactions energy: -34.623
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.229
local terms energy: -50.965858
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -113.095120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.095120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.095120 (E_RNA)
where:
Base-Base interactions energy: -66.005
where: short stacking energy: -36.447
Base-Backbone interact. energy: -0.160
local terms energy: -46.930016
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -3.272
flat angles P-C4'-P energy: -10.089
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: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -68.962150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.962150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.962150 (E_RNA)
where:
Base-Base interactions energy: -16.048
where: short stacking energy: -17.291
Base-Backbone interact. energy: -0.295
local terms energy: -52.618862
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -236.551164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.551164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.551164 (E_RNA)
where:
Base-Base interactions energy: -153.973
where: short stacking energy: -74.029
Base-Backbone interact. energy: -0.016
local terms energy: -82.561849
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -235.039297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.039297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.039297 (E_RNA)
where:
Base-Base interactions energy: -159.938
where: short stacking energy: -74.463
Base-Backbone interact. energy: -0.037
local terms energy: -75.064230
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -225.968820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.968820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.968820 (E_RNA)
where:
Base-Base interactions energy: -148.093
where: short stacking energy: -71.103
Base-Backbone interact. energy: -1.221
local terms energy: -76.654678
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -21.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -222.430280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.430280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.430280 (E_RNA)
where:
Base-Base interactions energy: -143.382
where: short stacking energy: -70.845
Base-Backbone interact. energy: -0.019
local terms energy: -79.029340
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -213.352955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.352955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.352955 (E_RNA)
where:
Base-Base interactions energy: -134.735
where: short stacking energy: -60.432
Base-Backbone interact. energy: -0.326
local terms energy: -78.292062
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -17.475
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: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -191.324268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.324268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.324268 (E_RNA)
where:
Base-Base interactions energy: -123.761
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.308
local terms energy: -67.255402
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -7.562
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: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -100.645327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.645327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.645327 (E_RNA)
where:
Base-Base interactions energy: -53.211
where: short stacking energy: -26.210
Base-Backbone interact. energy: -0.700
local terms energy: -46.734359
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: 0.733
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: 286
Temperature: 1.250000
Total energy: -91.411237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.411237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.411237 (E_RNA)
where:
Base-Base interactions energy: -41.993
where: short stacking energy: -38.742
Base-Backbone interact. energy: -0.229
local terms energy: -49.189028
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -7.532
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -130.501285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.501285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.501285 (E_RNA)
where:
Base-Base interactions energy: -79.949
where: short stacking energy: -47.445
Base-Backbone interact. energy: -0.153
local terms energy: -50.398958
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -7.212
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: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -77.402858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.402858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.402858 (E_RNA)
where:
Base-Base interactions energy: -35.862
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.972
local terms energy: -40.568561
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -1.090
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: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -239.382240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.382240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.382240 (E_RNA)
where:
Base-Base interactions energy: -157.057
where: short stacking energy: -75.794
Base-Backbone interact. energy: -0.016
local terms energy: -82.309485
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -23.124
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: 287
Temperature: 0.950000
Total energy: -233.982965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.982965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.982965 (E_RNA)
where:
Base-Base interactions energy: -155.970
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.374
local terms energy: -77.639433
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -232.704620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.704620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.704620 (E_RNA)
where:
Base-Base interactions energy: -149.195
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.002
local terms energy: -83.507720
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -223.884964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.884964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.884964 (E_RNA)
where:
Base-Base interactions energy: -151.625
where: short stacking energy: -74.163
Base-Backbone interact. energy: -0.111
local terms energy: -72.148662
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -10.961
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: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -226.246269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.246269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.246269 (E_RNA)
where:
Base-Base interactions energy: -146.804
where: short stacking energy: -72.853
Base-Backbone interact. energy: -0.003
local terms energy: -79.439926
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -215.533106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.533106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.533106 (E_RNA)
where:
Base-Base interactions energy: -140.678
where: short stacking energy: -68.374
Base-Backbone interact. energy: -0.604
local terms energy: -74.251372
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -21.391
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: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -104.173799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.173799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.173799 (E_RNA)
where:
Base-Base interactions energy: -46.782
where: short stacking energy: -41.808
Base-Backbone interact. energy: 0.312
local terms energy: -57.704468
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -5.037
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -11.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -77.484119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.484119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.484119 (E_RNA)
where:
Base-Base interactions energy: -26.802
where: short stacking energy: -23.989
Base-Backbone interact. energy: -0.144
local terms energy: -50.537455
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -10.354
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: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -93.551037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.551037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.551037 (E_RNA)
where:
Base-Base interactions energy: -38.733
where: short stacking energy: -27.572
Base-Backbone interact. energy: -0.260
local terms energy: -54.558121
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -7.622
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: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.152025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.152025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.152025 (E_RNA)
where:
Base-Base interactions energy: -37.092
where: short stacking energy: -24.749
Base-Backbone interact. energy: 1.610
local terms energy: -37.670324
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -6.664
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -236.677394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.677394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.677394 (E_RNA)
where:
Base-Base interactions energy: -153.860
where: short stacking energy: -76.218
Base-Backbone interact. energy: -0.003
local terms energy: -82.813945
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -22.521
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: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -233.571306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.571306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.571306 (E_RNA)
where:
Base-Base interactions energy: -154.971
where: short stacking energy: -72.958
Base-Backbone interact. energy: -0.023
local terms energy: -78.577056
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -23.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -238.416942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.416942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.416942 (E_RNA)
where:
Base-Base interactions energy: -152.753
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.001
local terms energy: -85.663328
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -22.164
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: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -218.739365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739365 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -66.916
Base-Backbone interact. energy: -0.305
local terms energy: -76.494713
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -206.405021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.405021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.405021 (E_RNA)
where:
Base-Base interactions energy: -133.026
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.400
local terms energy: -72.978376
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -206.007275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.007275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.007275 (E_RNA)
where:
Base-Base interactions energy: -139.675
where: short stacking energy: -63.324
Base-Backbone interact. energy: -0.002
local terms energy: -66.330607
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.490
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: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -101.558017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.558017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.558017 (E_RNA)
where:
Base-Base interactions energy: -60.325
where: short stacking energy: -40.167
Base-Backbone interact. energy: -0.139
local terms energy: -41.093772
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -90.101081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.101081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.101081 (E_RNA)
where:
Base-Base interactions energy: -32.415
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.178
local terms energy: -57.508071
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -7.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -75.783480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.783480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.783480 (E_RNA)
where:
Base-Base interactions energy: -28.530
where: short stacking energy: -27.783
Base-Backbone interact. energy: 1.183
local terms energy: -48.437291
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -77.726016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.726016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.726016 (E_RNA)
where:
Base-Base interactions energy: -26.094
where: short stacking energy: -24.057
Base-Backbone interact. energy: -0.233
local terms energy: -51.399395
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -4.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -238.636306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.636306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.636306 (E_RNA)
where:
Base-Base interactions energy: -156.872
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.004
local terms energy: -81.760050
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -22.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -229.035646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.035646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.035646 (E_RNA)
where:
Base-Base interactions energy: -150.292
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.036
local terms energy: -78.707161
where:
bonds (distance) C4'-P energy: -15.111
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -233.371596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.371596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.371596 (E_RNA)
where:
Base-Base interactions energy: -157.158
where: short stacking energy: -74.605
Base-Backbone interact. energy: -0.027
local terms energy: -76.186892
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -228.790491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.790491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.790491 (E_RNA)
where:
Base-Base interactions energy: -152.519
where: short stacking energy: -68.253
Base-Backbone interact. energy: -0.296
local terms energy: -75.975880
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -213.480836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.480836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.480836 (E_RNA)
where:
Base-Base interactions energy: -139.196
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.055
local terms energy: -74.229623
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -198.511266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.511266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.511266 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -63.185
Base-Backbone interact. energy: -0.016
local terms energy: -68.386956
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -117.353637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.353637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.353637 (E_RNA)
where:
Base-Base interactions energy: -68.737
where: short stacking energy: -23.460
Base-Backbone interact. energy: 1.335
local terms energy: -49.951861
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -6.041
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -93.198593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.198593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.198593 (E_RNA)
where:
Base-Base interactions energy: -46.137
where: short stacking energy: -30.451
Base-Backbone interact. energy: 0.821
local terms energy: -47.881979
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -2.292
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -87.977680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.977680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.977680 (E_RNA)
where:
Base-Base interactions energy: -29.683
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.052
local terms energy: -58.242280
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -8.715
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -84.961552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961552 (E_RNA)
where:
Base-Base interactions energy: -33.815
where: short stacking energy: -30.688
Base-Backbone interact. energy: -0.243
local terms energy: -50.903847
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -235.931903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.931903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.931903 (E_RNA)
where:
Base-Base interactions energy: -153.331
where: short stacking energy: -79.571
Base-Backbone interact. energy: -0.035
local terms energy: -82.565654
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -13.491
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: 290
Temperature: 0.950000
Total energy: -235.374339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.374339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.374339 (E_RNA)
where:
Base-Base interactions energy: -154.398
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.034
local terms energy: -80.942641
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -24.344
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: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -228.960389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.960389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.960389 (E_RNA)
where:
Base-Base interactions energy: -151.155
where: short stacking energy: -69.082
Base-Backbone interact. energy: -0.003
local terms energy: -77.802687
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -228.388625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.388625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.388625 (E_RNA)
where:
Base-Base interactions energy: -158.204
where: short stacking energy: -68.529
Base-Backbone interact. energy: -0.019
local terms energy: -70.165640
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -10.538
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -222.048698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.048698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.048698 (E_RNA)
where:
Base-Base interactions energy: -146.648
where: short stacking energy: -66.041
Base-Backbone interact. energy: 0.589
local terms energy: -75.989755
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -18.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -207.725208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.725208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.725208 (E_RNA)
where:
Base-Base interactions energy: -140.958
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.741
local terms energy: -66.026354
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -88.750269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.750269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.750269 (E_RNA)
where:
Base-Base interactions energy: -45.735
where: short stacking energy: -27.827
Base-Backbone interact. energy: -1.339
local terms energy: -41.676320
where:
bonds (distance) C4'-P energy: -6.687
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -133.250533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.250533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.250533 (E_RNA)
where:
Base-Base interactions energy: -72.087
where: short stacking energy: -45.635
Base-Backbone interact. energy: -0.027
local terms energy: -61.136746
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -87.477070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.477070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.477070 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -31.413
Base-Backbone interact. energy: -0.118
local terms energy: -49.862893
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -11.477
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: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -81.323396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.323396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.323396 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -20.579
Base-Backbone interact. energy: 0.197
local terms energy: -40.234995
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -232.019988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.019988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.019988 (E_RNA)
where:
Base-Base interactions energy: -154.923
where: short stacking energy: -72.769
Base-Backbone interact. energy: -0.042
local terms energy: -77.055267
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -229.620003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.620003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.620003 (E_RNA)
where:
Base-Base interactions energy: -152.596
where: short stacking energy: -77.045
Base-Backbone interact. energy: -0.167
local terms energy: -76.857351
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -233.945160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.945160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.945160 (E_RNA)
where:
Base-Base interactions energy: -149.812
where: short stacking energy: -66.561
Base-Backbone interact. energy: -0.080
local terms energy: -84.053345
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -23.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -220.587640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.587640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.587640 (E_RNA)
where:
Base-Base interactions energy: -151.869
where: short stacking energy: -72.771
Base-Backbone interact. energy: -0.013
local terms energy: -68.705676
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -217.756745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.756745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.756745 (E_RNA)
where:
Base-Base interactions energy: -143.429
where: short stacking energy: -65.475
Base-Backbone interact. energy: -0.003
local terms energy: -74.323942
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -21.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -207.749382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.749382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.749382 (E_RNA)
where:
Base-Base interactions energy: -139.025
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.026
local terms energy: -68.698755
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -114.947842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.947842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.947842 (E_RNA)
where:
Base-Base interactions energy: -59.140
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.555
local terms energy: -55.252985
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -10.607
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -107.148039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.148039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.148039 (E_RNA)
where:
Base-Base interactions energy: -53.133
where: short stacking energy: -32.956
Base-Backbone interact. energy: -1.009
local terms energy: -53.005232
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -5.738
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: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -95.628163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.628163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.628163 (E_RNA)
where:
Base-Base interactions energy: -42.752
where: short stacking energy: -42.752
Base-Backbone interact. energy: -0.355
local terms energy: -52.521392
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -9.707
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: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -80.618716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.618716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.618716 (E_RNA)
where:
Base-Base interactions energy: -24.688
where: short stacking energy: -23.495
Base-Backbone interact. energy: -0.060
local terms energy: -55.870264
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -233.140876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.140876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.140876 (E_RNA)
where:
Base-Base interactions energy: -151.699
where: short stacking energy: -68.447
Base-Backbone interact. energy: -0.065
local terms energy: -81.377247
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -234.345022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.345022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.345022 (E_RNA)
where:
Base-Base interactions energy: -159.806
where: short stacking energy: -76.231
Base-Backbone interact. energy: -0.577
local terms energy: -73.961849
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -227.233804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.233804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.233804 (E_RNA)
where:
Base-Base interactions energy: -145.986
where: short stacking energy: -72.021
Base-Backbone interact. energy: -0.011
local terms energy: -81.236951
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -223.639802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.639802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.639802 (E_RNA)
where:
Base-Base interactions energy: -147.309
where: short stacking energy: -70.384
Base-Backbone interact. energy: 1.418
local terms energy: -77.748029
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -19.820
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: 292
Temperature: 1.100000
Total energy: -220.703422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.703422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.703422 (E_RNA)
where:
Base-Base interactions energy: -141.716
where: short stacking energy: -67.586
Base-Backbone interact. energy: -0.000
local terms energy: -78.987159
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -20.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -200.109992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.109992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.109992 (E_RNA)
where:
Base-Base interactions energy: -137.560
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.028
local terms energy: -62.522036
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -13.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -105.190557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.190557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.190557 (E_RNA)
where:
Base-Base interactions energy: -42.546
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.163
local terms energy: -62.482140
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -4.970
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: 292
Temperature: 1.250000
Total energy: -123.147562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.147562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.147562 (E_RNA)
where:
Base-Base interactions energy: -69.594
where: short stacking energy: -34.154
Base-Backbone interact. energy: -0.357
local terms energy: -53.195887
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -95.836827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.836827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.836827 (E_RNA)
where:
Base-Base interactions energy: -47.958
where: short stacking energy: -32.053
Base-Backbone interact. energy: -0.210
local terms energy: -47.669275
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -1.548
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -9.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -77.136022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.136022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.136022 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -24.786
Base-Backbone interact. energy: -0.003
local terms energy: -49.773887
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -5.597
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -9.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -242.423324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.423324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.423324 (E_RNA)
where:
Base-Base interactions energy: -161.488
where: short stacking energy: -74.873
Base-Backbone interact. energy: -0.162
local terms energy: -80.773513
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -22.763
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: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -234.641998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.641998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.641998 (E_RNA)
where:
Base-Base interactions energy: -156.854
where: short stacking energy: -75.304
Base-Backbone interact. energy: -0.027
local terms energy: -77.761343
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -22.314
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: 293
Temperature: 1.000000
Total energy: -230.132448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.132448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.132448 (E_RNA)
where:
Base-Base interactions energy: -148.348
where: short stacking energy: -74.266
Base-Backbone interact. energy: -0.009
local terms energy: -81.775063
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -223.618930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.618930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.618930 (E_RNA)
where:
Base-Base interactions energy: -141.560
where: short stacking energy: -72.512
Base-Backbone interact. energy: -0.006
local terms energy: -82.053125
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -22.479
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: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -219.514867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.514867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.514867 (E_RNA)
where:
Base-Base interactions energy: -141.574
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.001
local terms energy: -77.939811
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -199.557316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.557316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.557316 (E_RNA)
where:
Base-Base interactions energy: -128.559
where: short stacking energy: -46.322
Base-Backbone interact. energy: -0.086
local terms energy: -70.912186
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -18.325
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: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -114.126389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.126389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.126389 (E_RNA)
where:
Base-Base interactions energy: -52.113
where: short stacking energy: -35.921
Base-Backbone interact. energy: -0.084
local terms energy: -61.929153
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -9.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -91.567509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.567509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.567509 (E_RNA)
where:
Base-Base interactions energy: -43.980
where: short stacking energy: -30.413
Base-Backbone interact. energy: 0.818
local terms energy: -48.405589
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -2.060
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -88.498115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.498115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.498115 (E_RNA)
where:
Base-Base interactions energy: -43.630
where: short stacking energy: -29.014
Base-Backbone interact. energy: -0.110
local terms energy: -44.757325
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -2.239
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: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -81.464255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.464255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.464255 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.595
local terms energy: -49.515667
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -236.479630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.479630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.479630 (E_RNA)
where:
Base-Base interactions energy: -156.906
where: short stacking energy: -73.483
Base-Backbone interact. energy: -0.085
local terms energy: -79.488221
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -234.786396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.786396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.786396 (E_RNA)
where:
Base-Base interactions energy: -153.289
where: short stacking energy: -75.017
Base-Backbone interact. energy: -0.577
local terms energy: -80.920781
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -221.609565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.609565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.609565 (E_RNA)
where:
Base-Base interactions energy: -145.466
where: short stacking energy: -69.597
Base-Backbone interact. energy: -0.466
local terms energy: -75.677472
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -230.717311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.717311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.717311 (E_RNA)
where:
Base-Base interactions energy: -153.320
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.225
local terms energy: -77.171773
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -217.748568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748568 (E_RNA)
where:
Base-Base interactions energy: -135.610
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.226
local terms energy: -81.912867
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -216.797971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.797971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.797971 (E_RNA)
where:
Base-Base interactions energy: -142.948
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.699
local terms energy: -73.150505
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -107.458896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.458896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.458896 (E_RNA)
where:
Base-Base interactions energy: -52.392
where: short stacking energy: -44.923
Base-Backbone interact. energy: -0.063
local terms energy: -55.004184
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -88.032226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.032226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.032226 (E_RNA)
where:
Base-Base interactions energy: -34.074
where: short stacking energy: -28.667
Base-Backbone interact. energy: -0.353
local terms energy: -53.605958
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -89.153390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.153390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.153390 (E_RNA)
where:
Base-Base interactions energy: -32.082
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.101
local terms energy: -56.969585
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -6.966
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: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -83.832469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.832469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.832469 (E_RNA)
where:
Base-Base interactions energy: -39.532
where: short stacking energy: -22.526
Base-Backbone interact. energy: -0.152
local terms energy: -44.148125
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -6.815
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: 0.914
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: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -236.073772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.073772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.073772 (E_RNA)
where:
Base-Base interactions energy: -157.765
where: short stacking energy: -74.291
Base-Backbone interact. energy: -0.192
local terms energy: -78.115931
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -232.224731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.224731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.224731 (E_RNA)
where:
Base-Base interactions energy: -152.219
where: short stacking energy: -72.659
Base-Backbone interact. energy: -0.026
local terms energy: -79.978904
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -19.605
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: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -231.458847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.458847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.458847 (E_RNA)
where:
Base-Base interactions energy: -152.037
where: short stacking energy: -75.559
Base-Backbone interact. energy: 0.604
local terms energy: -80.025563
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -226.035541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.035541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.035541 (E_RNA)
where:
Base-Base interactions energy: -153.047
where: short stacking energy: -69.473
Base-Backbone interact. energy: -0.001
local terms energy: -72.988011
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -20.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -219.584895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.584895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.584895 (E_RNA)
where:
Base-Base interactions energy: -144.550
where: short stacking energy: -69.351
Base-Backbone interact. energy: -0.310
local terms energy: -74.724473
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -206.802395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.802395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.802395 (E_RNA)
where:
Base-Base interactions energy: -138.686
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.001
local terms energy: -68.115530
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -102.174746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.174746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.174746 (E_RNA)
where:
Base-Base interactions energy: -36.274
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.009
local terms energy: -65.891435
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -12.049
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: 8, replica: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -89.780387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.780387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.780387 (E_RNA)
where:
Base-Base interactions energy: -34.440
where: short stacking energy: -34.440
Base-Backbone interact. energy: -0.006
local terms energy: -55.334115
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -78.823887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.823887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.823887 (E_RNA)
where:
Base-Base interactions energy: -24.275
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.194
local terms energy: -54.354186
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.401
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: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -78.869980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.869980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.869980 (E_RNA)
where:
Base-Base interactions energy: -33.561
where: short stacking energy: -19.629
Base-Backbone interact. energy: 0.563
local terms energy: -45.871777
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -241.524711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.524711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.524711 (E_RNA)
where:
Base-Base interactions energy: -164.924
where: short stacking energy: -74.365
Base-Backbone interact. energy: -0.009
local terms energy: -76.591849
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -230.397018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.397018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.397018 (E_RNA)
where:
Base-Base interactions energy: -153.109
where: short stacking energy: -70.949
Base-Backbone interact. energy: -0.001
local terms energy: -77.287444
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -220.897103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.897103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.897103 (E_RNA)
where:
Base-Base interactions energy: -143.620
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.027
local terms energy: -77.250684
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -225.430932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.430932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.430932 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -71.665
Base-Backbone interact. energy: -0.514
local terms energy: -75.930049
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -19.973
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: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -223.351430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.351430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.351430 (E_RNA)
where:
Base-Base interactions energy: -154.801
where: short stacking energy: -66.181
Base-Backbone interact. energy: 0.060
local terms energy: -68.610656
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.305
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: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -197.810295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.810295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.810295 (E_RNA)
where:
Base-Base interactions energy: -130.234
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.014
local terms energy: -67.562999
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -91.738547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.738547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.738547 (E_RNA)
where:
Base-Base interactions energy: -38.630
where: short stacking energy: -38.630
Base-Backbone interact. energy: -0.202
local terms energy: -52.907363
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -3.227
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -87.534157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.534157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.534157 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.063
local terms energy: -49.169851
where:
bonds (distance) C4'-P energy: -9.225
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -101.202538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.202538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.202538 (E_RNA)
where:
Base-Base interactions energy: -48.122
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.733
local terms energy: -52.347820
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -83.280528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280528 (E_RNA)
where:
Base-Base interactions energy: -35.177
where: short stacking energy: -35.177
Base-Backbone interact. energy: 1.043
local terms energy: -49.146163
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -2.680
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -234.277886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.277886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.277886 (E_RNA)
where:
Base-Base interactions energy: -156.821
where: short stacking energy: -71.898
Base-Backbone interact. energy: -0.858
local terms energy: -76.598147
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -21.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -230.630865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.630865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.630865 (E_RNA)
where:
Base-Base interactions energy: -152.701
where: short stacking energy: -76.138
Base-Backbone interact. energy: -0.001
local terms energy: -77.928722
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -12.122
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: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -223.036597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.036597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.036597 (E_RNA)
where:
Base-Base interactions energy: -150.141
where: short stacking energy: -68.431
Base-Backbone interact. energy: -0.007
local terms energy: -72.888129
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -223.423532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.423532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.423532 (E_RNA)
where:
Base-Base interactions energy: -154.714
where: short stacking energy: -70.735
Base-Backbone interact. energy: -0.007
local terms energy: -68.702664
where:
bonds (distance) C4'-P energy: -5.839
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -20.959
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: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -219.482738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.482738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.482738 (E_RNA)
where:
Base-Base interactions energy: -143.747
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.008
local terms energy: -75.727762
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -210.786401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.786401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.786401 (E_RNA)
where:
Base-Base interactions energy: -140.827
where: short stacking energy: -63.871
Base-Backbone interact. energy: -0.030
local terms energy: -69.929529
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -90.639964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639964 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -34.193
Base-Backbone interact. energy: 0.553
local terms energy: -56.999705
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -80.549283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.549283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.549283 (E_RNA)
where:
Base-Base interactions energy: -37.410
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.049
local terms energy: -43.089439
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: 2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -82.550536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.550536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.550536 (E_RNA)
where:
Base-Base interactions energy: -28.554
where: short stacking energy: -28.554
Base-Backbone interact. energy: -0.212
local terms energy: -53.784727
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -7.076
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: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -93.024753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.024753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.024753 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -23.539
Base-Backbone interact. energy: -0.335
local terms energy: -53.361786
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -238.394100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.394100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.394100 (E_RNA)
where:
Base-Base interactions energy: -151.683
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.283
local terms energy: -86.428049
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -22.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -234.578247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.578247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.578247 (E_RNA)
where:
Base-Base interactions energy: -153.598
where: short stacking energy: -68.516
Base-Backbone interact. energy: -0.007
local terms energy: -80.973249
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -227.856576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.856576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.856576 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.006
local terms energy: -75.056939
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -235.296022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.296022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.296022 (E_RNA)
where:
Base-Base interactions energy: -151.776
where: short stacking energy: -73.120
Base-Backbone interact. energy: -0.329
local terms energy: -83.190421
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -23.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -217.283977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.283977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.283977 (E_RNA)
where:
Base-Base interactions energy: -151.449
where: short stacking energy: -63.727
Base-Backbone interact. energy: -0.076
local terms energy: -65.759002
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -5.130
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -13.070
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: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -214.570590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.570590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.570590 (E_RNA)
where:
Base-Base interactions energy: -142.933
where: short stacking energy: -66.201
Base-Backbone interact. energy: 0.401
local terms energy: -72.038591
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -21.242
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -90.974986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974986 (E_RNA)
where:
Base-Base interactions energy: -40.643
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.154
local terms energy: -50.178249
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -86.244260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.244260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.244260 (E_RNA)
where:
Base-Base interactions energy: -29.677
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.078
local terms energy: -56.489701
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -79.558241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.558241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.558241 (E_RNA)
where:
Base-Base interactions energy: -25.311
where: short stacking energy: -25.311
Base-Backbone interact. energy: -0.035
local terms energy: -54.212039
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -4.340
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: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -79.926107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.926107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.926107 (E_RNA)
where:
Base-Base interactions energy: -30.286
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.349
local terms energy: -49.290889
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.148
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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -234.873034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.873034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.873034 (E_RNA)
where:
Base-Base interactions energy: -151.221
where: short stacking energy: -72.983
Base-Backbone interact. energy: -0.258
local terms energy: -83.394411
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -238.488255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.488255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.488255 (E_RNA)
where:
Base-Base interactions energy: -157.311
where: short stacking energy: -76.638
Base-Backbone interact. energy: -0.038
local terms energy: -81.139412
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -224.716336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.716336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.716336 (E_RNA)
where:
Base-Base interactions energy: -147.990
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.000
local terms energy: -76.725971
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -22.147
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: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -231.089792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089792 (E_RNA)
where:
Base-Base interactions energy: -156.010
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.094
local terms energy: -74.985954
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -217.047706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.047706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.047706 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -69.468
Base-Backbone interact. energy: 0.036
local terms energy: -67.978080
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -219.454097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454097 (E_RNA)
where:
Base-Base interactions energy: -144.326
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.009
local terms energy: -75.119639
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -100.623075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.623075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.623075 (E_RNA)
where:
Base-Base interactions energy: -50.537
where: short stacking energy: -46.464
Base-Backbone interact. energy: 0.385
local terms energy: -50.470633
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -5.289
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: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -97.631170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631170 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -31.933
Base-Backbone interact. energy: -0.131
local terms energy: -57.803113
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -88.903618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.903618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.903618 (E_RNA)
where:
Base-Base interactions energy: -29.874
where: short stacking energy: -29.874
Base-Backbone interact. energy: -0.077
local terms energy: -58.952300
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -6.843
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: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -86.950551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.950551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.950551 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.098
local terms energy: -50.070828
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -7.052
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: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -235.985341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.985341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.985341 (E_RNA)
where:
Base-Base interactions energy: -159.811
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.009
local terms energy: -76.165636
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -230.727200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.727200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.727200 (E_RNA)
where:
Base-Base interactions energy: -156.343
where: short stacking energy: -70.751
Base-Backbone interact. energy: -0.003
local terms energy: -74.381658
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -23.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -221.041576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.041576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.041576 (E_RNA)
where:
Base-Base interactions energy: -152.104
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.636
local terms energy: -68.301424
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -224.525991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.525991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.525991 (E_RNA)
where:
Base-Base interactions energy: -144.374
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.553
local terms energy: -79.599175
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -20.221
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: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -220.944266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.944266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.944266 (E_RNA)
where:
Base-Base interactions energy: -147.393
where: short stacking energy: -67.810
Base-Backbone interact. energy: -0.243
local terms energy: -73.308642
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -205.575745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.575745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.575745 (E_RNA)
where:
Base-Base interactions energy: -145.528
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.001
local terms energy: -60.047135
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -103.295668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.295668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.295668 (E_RNA)
where:
Base-Base interactions energy: -63.026
where: short stacking energy: -35.054
Base-Backbone interact. energy: 0.351
local terms energy: -40.620610
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -8.706
flat angles P-C4'-P energy: -3.135
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -89.629242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629242 (E_RNA)
where:
Base-Base interactions energy: -36.385
where: short stacking energy: -36.385
Base-Backbone interact. energy: 0.322
local terms energy: -53.566550
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -82.949295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.949295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.949295 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.163
local terms energy: -48.550582
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -6.778
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -77.978989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.978989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.978989 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -32.588
Base-Backbone interact. energy: 0.952
local terms energy: -46.342759
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -7.010
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -234.841510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.841510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.841510 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -69.101
Base-Backbone interact. energy: -0.048
local terms energy: -85.895111
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -224.273975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.273975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.273975 (E_RNA)
where:
Base-Base interactions energy: -146.057
where: short stacking energy: -64.303
Base-Backbone interact. energy: -0.165
local terms energy: -78.051477
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -220.398456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.398456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.398456 (E_RNA)
where:
Base-Base interactions energy: -140.604
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.156
local terms energy: -79.639000
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -225.565382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.565382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.565382 (E_RNA)
where:
Base-Base interactions energy: -151.471
where: short stacking energy: -72.507
Base-Backbone interact. energy: -0.296
local terms energy: -73.798454
where:
bonds (distance) C4'-P energy: -18.458
bonds (distance) P-C4' energy: -8.034
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -215.781528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.781528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.781528 (E_RNA)
where:
Base-Base interactions energy: -147.241
where: short stacking energy: -69.036
Base-Backbone interact. energy: -0.084
local terms energy: -68.456911
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -204.954257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.954257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.954257 (E_RNA)
where:
Base-Base interactions energy: -133.761
where: short stacking energy: -61.716
Base-Backbone interact. energy: -0.013
local terms energy: -71.180542
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -8.626
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: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -158.081358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.081358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.081358 (E_RNA)
where:
Base-Base interactions energy: -106.112
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.224
local terms energy: -51.745448
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: 2.250
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -86.758384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.758384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.758384 (E_RNA)
where:
Base-Base interactions energy: -42.508
where: short stacking energy: -21.392
Base-Backbone interact. energy: -0.229
local terms energy: -44.021798
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -7.387
flat angles P-C4'-P energy: -11.703
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: 9, replica: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -90.286808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.286808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.286808 (E_RNA)
where:
Base-Base interactions energy: -40.508
where: short stacking energy: -38.111
Base-Backbone interact. energy: -0.205
local terms energy: -49.574161
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -10.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -78.434747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.434747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.434747 (E_RNA)
where:
Base-Base interactions energy: -30.796
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.311
local terms energy: -47.327289
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -235.991900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.991900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.991900 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -73.670
Base-Backbone interact. energy: -0.001
local terms energy: -82.545076
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -21.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -228.933887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.933887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.933887 (E_RNA)
where:
Base-Base interactions energy: -149.669
where: short stacking energy: -73.951
Base-Backbone interact. energy: -0.010
local terms energy: -79.255501
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -21.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -233.037768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.037768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.037768 (E_RNA)
where:
Base-Base interactions energy: -159.964
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.001
local terms energy: -73.072038
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -220.780027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.780027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.780027 (E_RNA)
where:
Base-Base interactions energy: -148.297
where: short stacking energy: -67.490
Base-Backbone interact. energy: -0.060
local terms energy: -72.423597
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -224.032227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.032227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.032227 (E_RNA)
where:
Base-Base interactions energy: -151.705
where: short stacking energy: -66.332
Base-Backbone interact. energy: -0.002
local terms energy: -72.325144
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -219.898986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.898986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.898986 (E_RNA)
where:
Base-Base interactions energy: -148.115
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.013
local terms energy: -71.771230
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -165.137981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.137981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.137981 (E_RNA)
where:
Base-Base interactions energy: -96.662
where: short stacking energy: -45.740
Base-Backbone interact. energy: -0.380
local terms energy: -68.095558
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -10.394
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: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -96.939686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.939686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.939686 (E_RNA)
where:
Base-Base interactions energy: -42.717
where: short stacking energy: -29.321
Base-Backbone interact. energy: -0.271
local terms energy: -53.951799
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -8.448
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: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -91.247440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.247440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.247440 (E_RNA)
where:
Base-Base interactions energy: -32.659
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.731
local terms energy: -57.857216
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.529
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: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -74.512564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.512564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.512564 (E_RNA)
where:
Base-Base interactions energy: -28.691
where: short stacking energy: -24.526
Base-Backbone interact. energy: -0.156
local terms energy: -45.665023
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: 2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -234.975376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.975376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.975376 (E_RNA)
where:
Base-Base interactions energy: -161.420
where: short stacking energy: -74.225
Base-Backbone interact. energy: -0.010
local terms energy: -73.545599
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -225.449361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.449361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.449361 (E_RNA)
where:
Base-Base interactions energy: -155.796
where: short stacking energy: -74.537
Base-Backbone interact. energy: -0.545
local terms energy: -69.108422
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -218.987777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.987777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.987777 (E_RNA)
where:
Base-Base interactions energy: -149.806
where: short stacking energy: -71.464
Base-Backbone interact. energy: -0.013
local terms energy: -69.168122
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -223.919103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.919103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.919103 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.056
local terms energy: -70.420176
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -1.085
tors. eta vs tors. theta energy: -20.334
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: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -213.854942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.854942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.854942 (E_RNA)
where:
Base-Base interactions energy: -141.419
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.073
local terms energy: -72.362564
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -17.081
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: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -195.510249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.510249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.510249 (E_RNA)
where:
Base-Base interactions energy: -128.298
where: short stacking energy: -57.500
Base-Backbone interact. energy: -0.833
local terms energy: -66.379229
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -15.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -167.316274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.316274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.316274 (E_RNA)
where:
Base-Base interactions energy: -99.645
where: short stacking energy: -47.051
Base-Backbone interact. energy: -0.105
local terms energy: -67.566511
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -9.788
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: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -87.744276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.744276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.744276 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -40.023
Base-Backbone interact. energy: -0.020
local terms energy: -47.701038
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -86.482690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.482690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.482690 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -35.009
Base-Backbone interact. energy: -0.091
local terms energy: -47.932221
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -2.497
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: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -73.953991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.953991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.953991 (E_RNA)
where:
Base-Base interactions energy: -24.846
where: short stacking energy: -22.903
Base-Backbone interact. energy: -0.215
local terms energy: -48.892982
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -235.118773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.118773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.118773 (E_RNA)
where:
Base-Base interactions energy: -156.258
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.004
local terms energy: -78.857018
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -233.502441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.502441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.502441 (E_RNA)
where:
Base-Base interactions energy: -153.273
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.144
local terms energy: -80.084873
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -228.558355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.558355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.558355 (E_RNA)
where:
Base-Base interactions energy: -153.071
where: short stacking energy: -74.465
Base-Backbone interact. energy: -0.015
local terms energy: -75.471931
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -225.974087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.974087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.974087 (E_RNA)
where:
Base-Base interactions energy: -154.734
where: short stacking energy: -71.138
Base-Backbone interact. energy: -0.165
local terms energy: -71.074463
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -9.155
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -21.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -213.228409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.228409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.228409 (E_RNA)
where:
Base-Base interactions energy: -140.461
where: short stacking energy: -70.125
Base-Backbone interact. energy: -0.501
local terms energy: -72.266654
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -174.133015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.133015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.133015 (E_RNA)
where:
Base-Base interactions energy: -107.215
where: short stacking energy: -50.035
Base-Backbone interact. energy: -0.822
local terms energy: -66.096309
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -11.413
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: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -144.695979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.695979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.695979 (E_RNA)
where:
Base-Base interactions energy: -94.028
where: short stacking energy: -53.647
Base-Backbone interact. energy: -0.094
local terms energy: -50.573640
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -4.305
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: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -87.596275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.596275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.596275 (E_RNA)
where:
Base-Base interactions energy: -38.168
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.016
local terms energy: -49.412412
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -2.848
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: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -78.965062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.965062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.965062 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -23.225
Base-Backbone interact. energy: 0.174
local terms energy: -39.474446
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -5.940
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -10.346
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: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -72.760862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.760862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.760862 (E_RNA)
where:
Base-Base interactions energy: -26.190
where: short stacking energy: -20.786
Base-Backbone interact. energy: -0.265
local terms energy: -46.305812
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: 0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -247.080735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.080735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.080735 (E_RNA)
where:
Base-Base interactions energy: -159.636
where: short stacking energy: -78.799
Base-Backbone interact. energy: -0.003
local terms energy: -87.441500
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -228.487889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.487889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.487889 (E_RNA)
where:
Base-Base interactions energy: -149.447
where: short stacking energy: -73.910
Base-Backbone interact. energy: -0.026
local terms energy: -79.014985
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -230.111777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.111777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.111777 (E_RNA)
where:
Base-Base interactions energy: -152.735
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.001
local terms energy: -77.375681
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -217.228480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.228480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.228480 (E_RNA)
where:
Base-Base interactions energy: -140.468
where: short stacking energy: -61.725
Base-Backbone interact. energy: -0.043
local terms energy: -76.717162
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -12.713
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: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -213.886670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.886670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.886670 (E_RNA)
where:
Base-Base interactions energy: -145.239
where: short stacking energy: -65.216
Base-Backbone interact. energy: -0.297
local terms energy: -68.350529
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -8.177
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -173.421359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.421359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.421359 (E_RNA)
where:
Base-Base interactions energy: -110.749
where: short stacking energy: -50.579
Base-Backbone interact. energy: -0.659
local terms energy: -62.012973
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -14.605
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: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -136.450524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.450524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.450524 (E_RNA)
where:
Base-Base interactions energy: -93.064
where: short stacking energy: -39.035
Base-Backbone interact. energy: -0.407
local terms energy: -42.979418
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -91.477223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.477223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.477223 (E_RNA)
where:
Base-Base interactions energy: -39.834
where: short stacking energy: -39.799
Base-Backbone interact. energy: -0.108
local terms energy: -51.536070
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -1.135
tors. eta vs tors. theta energy: -9.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -76.986499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.986499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.986499 (E_RNA)
where:
Base-Base interactions energy: -27.911
where: short stacking energy: -24.757
Base-Backbone interact. energy: 0.121
local terms energy: -49.197184
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -80.469818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.469818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.469818 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.095
local terms energy: -49.675975
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -4.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -236.449723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.449723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.449723 (E_RNA)
where:
Base-Base interactions energy: -154.965
where: short stacking energy: -72.447
Base-Backbone interact. energy: 0.343
local terms energy: -81.827372
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -232.993396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.993396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.993396 (E_RNA)
where:
Base-Base interactions energy: -151.222
where: short stacking energy: -67.099
Base-Backbone interact. energy: -0.002
local terms energy: -81.769204
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -230.623434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.623434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.623434 (E_RNA)
where:
Base-Base interactions energy: -155.982
where: short stacking energy: -67.355
Base-Backbone interact. energy: -0.599
local terms energy: -74.042234
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -225.791654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.791654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.791654 (E_RNA)
where:
Base-Base interactions energy: -150.096
where: short stacking energy: -66.418
Base-Backbone interact. energy: 0.755
local terms energy: -76.450727
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -19.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -219.025647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.025647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.025647 (E_RNA)
where:
Base-Base interactions energy: -149.119
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.046
local terms energy: -69.861450
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -7.217
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: 6, replica: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -178.160411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.160411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.160411 (E_RNA)
where:
Base-Base interactions energy: -117.676
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.181
local terms energy: -60.303703
where:
bonds (distance) C4'-P energy: -7.391
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -122.621723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.621723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.621723 (E_RNA)
where:
Base-Base interactions energy: -76.703
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.204
local terms energy: -45.714372
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -101.255828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.255828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.255828 (E_RNA)
where:
Base-Base interactions energy: -46.917
where: short stacking energy: -30.821
Base-Backbone interact. energy: -0.140
local terms energy: -54.198381
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -82.574771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.574771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.574771 (E_RNA)
where:
Base-Base interactions energy: -36.632
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.139
local terms energy: -45.804021
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -81.380844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.380844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.380844 (E_RNA)
where:
Base-Base interactions energy: -32.625
where: short stacking energy: -32.625
Base-Backbone interact. energy: -0.286
local terms energy: -48.469486
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -7.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -240.674564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.674564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.674564 (E_RNA)
where:
Base-Base interactions energy: -156.833
where: short stacking energy: -77.176
Base-Backbone interact. energy: 0.918
local terms energy: -84.759037
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -225.230593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.230593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.230593 (E_RNA)
where:
Base-Base interactions energy: -156.123
where: short stacking energy: -73.846
Base-Backbone interact. energy: 0.316
local terms energy: -69.423713
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -226.606686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.606686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.606686 (E_RNA)
where:
Base-Base interactions energy: -145.008
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.370
local terms energy: -81.228649
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.602
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: 307
Temperature: 1.050000
Total energy: -218.749846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.749846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.749846 (E_RNA)
where:
Base-Base interactions energy: -142.951
where: short stacking energy: -73.019
Base-Backbone interact. energy: -0.016
local terms energy: -75.783407
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -214.830279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.830279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.830279 (E_RNA)
where:
Base-Base interactions energy: -143.486
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.381
local terms energy: -70.963294
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -201.843564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.843564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.843564 (E_RNA)
where:
Base-Base interactions energy: -128.488
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.060
local terms energy: -73.296408
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -96.187034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.187034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.187034 (E_RNA)
where:
Base-Base interactions energy: -40.539
where: short stacking energy: -30.698
Base-Backbone interact. energy: -0.268
local terms energy: -55.380553
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -2.899
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -95.638732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.638732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.638732 (E_RNA)
where:
Base-Base interactions energy: -37.025
where: short stacking energy: -26.248
Base-Backbone interact. energy: -0.032
local terms energy: -58.581544
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -82.036283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.036283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.036283 (E_RNA)
where:
Base-Base interactions energy: -37.753
where: short stacking energy: -20.704
Base-Backbone interact. energy: -0.405
local terms energy: -43.878286
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -7.211
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: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -80.980403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.980403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.980403 (E_RNA)
where:
Base-Base interactions energy: -29.636
where: short stacking energy: -22.323
Base-Backbone interact. energy: -0.031
local terms energy: -51.313378
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -6.178
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: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -241.282373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.282373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.282373 (E_RNA)
where:
Base-Base interactions energy: -156.924
where: short stacking energy: -72.074
Base-Backbone interact. energy: -0.134
local terms energy: -84.224178
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -22.919
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: 9
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -230.021198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.021198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.021198 (E_RNA)
where:
Base-Base interactions energy: -146.171
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.000
local terms energy: -83.849565
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -230.064263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.064263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.064263 (E_RNA)
where:
Base-Base interactions energy: -150.978
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.001
local terms energy: -79.085593
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -219.764337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.764337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.764337 (E_RNA)
where:
Base-Base interactions energy: -150.283
where: short stacking energy: -68.823
Base-Backbone interact. energy: -0.266
local terms energy: -69.215270
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -224.179621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.179621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179621 (E_RNA)
where:
Base-Base interactions energy: -143.147
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.001
local terms energy: -81.032187
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -220.407946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.407946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.407946 (E_RNA)
where:
Base-Base interactions energy: -142.579
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.333
local terms energy: -77.496454
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -95.014209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.014209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.014209 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -29.889
Base-Backbone interact. energy: -0.207
local terms energy: -51.622189
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -1.515
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: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -80.990086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.990086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.990086 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -27.670
Base-Backbone interact. energy: -0.940
local terms energy: -47.160520
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -107.638752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.638752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.638752 (E_RNA)
where:
Base-Base interactions energy: -54.381
where: short stacking energy: -31.598
Base-Backbone interact. energy: -0.009
local terms energy: -53.248125
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -87.136341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136341 (E_RNA)
where:
Base-Base interactions energy: -31.499
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.264
local terms energy: -55.373251
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -14.536
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: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -238.833348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.833348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.833348 (E_RNA)
where:
Base-Base interactions energy: -155.327
where: short stacking energy: -73.151
Base-Backbone interact. energy: -0.263
local terms energy: -83.244149
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -231.838175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.838175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.838175 (E_RNA)
where:
Base-Base interactions energy: -149.238
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.005
local terms energy: -82.595721
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -19.148
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: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -226.821667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.821667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.821667 (E_RNA)
where:
Base-Base interactions energy: -156.176
where: short stacking energy: -70.011
Base-Backbone interact. energy: -0.007
local terms energy: -70.638216
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -217.673045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.673045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.673045 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -65.699
Base-Backbone interact. energy: -0.041
local terms energy: -78.878839
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -208.995636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.995636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.995636 (E_RNA)
where:
Base-Base interactions energy: -143.804
where: short stacking energy: -69.009
Base-Backbone interact. energy: -0.183
local terms energy: -65.007970
where:
bonds (distance) C4'-P energy: -7.065
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -215.873401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.873401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.873401 (E_RNA)
where:
Base-Base interactions energy: -143.029
where: short stacking energy: -65.052
Base-Backbone interact. energy: -0.095
local terms energy: -72.750229
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -92.692510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.692510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.692510 (E_RNA)
where:
Base-Base interactions energy: -42.024
where: short stacking energy: -24.546
Base-Backbone interact. energy: 0.079
local terms energy: -50.747779
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -87.549283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.549283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.549283 (E_RNA)
where:
Base-Base interactions energy: -34.511
where: short stacking energy: -33.591
Base-Backbone interact. energy: -0.003
local terms energy: -53.035661
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -82.514836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.514836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.514836 (E_RNA)
where:
Base-Base interactions energy: -25.353
where: short stacking energy: -26.253
Base-Backbone interact. energy: -0.122
local terms energy: -57.039554
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -6.460
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: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -69.208656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.208656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.208656 (E_RNA)
where:
Base-Base interactions energy: -21.746
where: short stacking energy: -20.089
Base-Backbone interact. energy: -0.136
local terms energy: -47.327403
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -232.690725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.690725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.690725 (E_RNA)
where:
Base-Base interactions energy: -154.753
where: short stacking energy: -72.964
Base-Backbone interact. energy: -0.001
local terms energy: -77.936348
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -239.433561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.433561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.433561 (E_RNA)
where:
Base-Base interactions energy: -158.910
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.603
local terms energy: -79.920939
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -22.062
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: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -231.215675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.215675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.215675 (E_RNA)
where:
Base-Base interactions energy: -157.754
where: short stacking energy: -74.889
Base-Backbone interact. energy: -0.102
local terms energy: -73.359275
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -7.470
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -221.611201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.611201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.611201 (E_RNA)
where:
Base-Base interactions energy: -148.489
where: short stacking energy: -68.466
Base-Backbone interact. energy: -0.004
local terms energy: -73.118128
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -202.248692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.248692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.248692 (E_RNA)
where:
Base-Base interactions energy: -129.952
where: short stacking energy: -59.219
Base-Backbone interact. energy: -0.009
local terms energy: -72.287243
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -213.066624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.066624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.066624 (E_RNA)
where:
Base-Base interactions energy: -142.273
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.085
local terms energy: -70.709467
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -133.644609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.644609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.644609 (E_RNA)
where:
Base-Base interactions energy: -71.490
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.012
local terms energy: -62.142464
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -10.669
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: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -88.757586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.757586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.757586 (E_RNA)
where:
Base-Base interactions energy: -36.638
where: short stacking energy: -37.803
Base-Backbone interact. energy: -0.102
local terms energy: -52.017655
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -84.924514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924514 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.148
local terms energy: -50.954789
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -74.222735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.222735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.222735 (E_RNA)
where:
Base-Base interactions energy: -26.179
where: short stacking energy: -26.379
Base-Backbone interact. energy: -0.125
local terms energy: -47.918281
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -10.361
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: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -236.627770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.627770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.627770 (E_RNA)
where:
Base-Base interactions energy: -157.772
where: short stacking energy: -74.993
Base-Backbone interact. energy: 0.463
local terms energy: -79.318760
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -225.966633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.966633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.966633 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.013
local terms energy: -78.386589
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -228.134206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.134206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.134206 (E_RNA)
where:
Base-Base interactions energy: -148.785
where: short stacking energy: -71.155
Base-Backbone interact. energy: -0.043
local terms energy: -79.306799
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -218.359055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.359055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.359055 (E_RNA)
where:
Base-Base interactions energy: -144.236
where: short stacking energy: -70.423
Base-Backbone interact. energy: 0.941
local terms energy: -75.063641
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -13.081
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: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -226.350901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.350901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.350901 (E_RNA)
where:
Base-Base interactions energy: -144.469
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.599
local terms energy: -81.283425
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -210.394031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.394031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.394031 (E_RNA)
where:
Base-Base interactions energy: -139.614
where: short stacking energy: -61.720
Base-Backbone interact. energy: -0.016
local terms energy: -70.764415
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -10.426
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: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -127.187195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.187195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.187195 (E_RNA)
where:
Base-Base interactions energy: -67.171
where: short stacking energy: -37.713
Base-Backbone interact. energy: -0.085
local terms energy: -59.931285
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -4.535
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: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -89.750687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.750687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.750687 (E_RNA)
where:
Base-Base interactions energy: -29.082
where: short stacking energy: -29.682
Base-Backbone interact. energy: -0.236
local terms energy: -60.432982
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -10.071
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: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -90.331295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.331295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.331295 (E_RNA)
where:
Base-Base interactions energy: -42.118
where: short stacking energy: -39.281
Base-Backbone interact. energy: -1.023
local terms energy: -47.190467
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -74.518997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.518997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.518997 (E_RNA)
where:
Base-Base interactions energy: -28.281
where: short stacking energy: -28.281
Base-Backbone interact. energy: -0.222
local terms energy: -46.015524
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -2.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -234.567030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.567030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.567030 (E_RNA)
where:
Base-Base interactions energy: -157.549
where: short stacking energy: -71.662
Base-Backbone interact. energy: -0.002
local terms energy: -77.015052
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -229.202636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.202636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.202636 (E_RNA)
where:
Base-Base interactions energy: -150.299
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.180
local terms energy: -78.723794
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -9.042
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: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -232.217066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.217066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.217066 (E_RNA)
where:
Base-Base interactions energy: -156.732
where: short stacking energy: -70.091
Base-Backbone interact. energy: -0.002
local terms energy: -75.482748
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -219.955873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.955873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.955873 (E_RNA)
where:
Base-Base interactions energy: -146.957
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.292
local terms energy: -72.707481
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -21.430
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: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -227.822341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.822341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.822341 (E_RNA)
where:
Base-Base interactions energy: -149.761
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.340
local terms energy: -77.721380
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -16.381
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: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -212.543588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.543588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.543588 (E_RNA)
where:
Base-Base interactions energy: -138.540
where: short stacking energy: -59.702
Base-Backbone interact. energy: -0.177
local terms energy: -73.826403
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -13.876
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: 312
Temperature: 1.200000
Total energy: -99.308402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.308402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.308402 (E_RNA)
where:
Base-Base interactions energy: -42.194
where: short stacking energy: -39.933
Base-Backbone interact. energy: -0.003
local terms energy: -57.111625
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -10.436
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: 312
Temperature: 1.250000
Total energy: -74.703194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.703194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.703194 (E_RNA)
where:
Base-Base interactions energy: -27.271
where: short stacking energy: -20.604
Base-Backbone interact. energy: -0.040
local terms energy: -47.391842
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -78.193761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.193761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.193761 (E_RNA)
where:
Base-Base interactions energy: -30.068
where: short stacking energy: -30.068
Base-Backbone interact. energy: 0.046
local terms energy: -48.171777
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -7.433
flat angles P-C4'-P energy: -11.027
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: 312
Temperature: 1.350000
Total energy: -74.601740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.601740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.601740 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -13.189
Base-Backbone interact. energy: -0.391
local terms energy: -35.895186
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -7.006
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: 3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -242.161730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.161730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.161730 (E_RNA)
where:
Base-Base interactions energy: -164.186
where: short stacking energy: -74.016
Base-Backbone interact. energy: -0.002
local terms energy: -77.974101
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -235.189829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.189829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.189829 (E_RNA)
where:
Base-Base interactions energy: -153.450
where: short stacking energy: -71.808
Base-Backbone interact. energy: -0.000
local terms energy: -81.739812
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -21.604
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: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -237.879301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.879301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.879301 (E_RNA)
where:
Base-Base interactions energy: -153.054
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.304
local terms energy: -84.520555
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -22.788
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: 313
Temperature: 1.050000
Total energy: -227.356127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.356127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.356127 (E_RNA)
where:
Base-Base interactions energy: -151.128
where: short stacking energy: -72.221
Base-Backbone interact. energy: -0.778
local terms energy: -75.449537
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -212.754401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.754401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.754401 (E_RNA)
where:
Base-Base interactions energy: -141.752
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.064
local terms energy: -70.938581
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -204.062663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.062663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.062663 (E_RNA)
where:
Base-Base interactions energy: -140.659
where: short stacking energy: -67.740
Base-Backbone interact. energy: -0.112
local terms energy: -63.292303
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -6.053
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: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -91.838421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.838421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.838421 (E_RNA)
where:
Base-Base interactions energy: -37.935
where: short stacking energy: -37.935
Base-Backbone interact. energy: -0.224
local terms energy: -53.679154
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -5.476
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -108.262093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.262093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.262093 (E_RNA)
where:
Base-Base interactions energy: -51.605
where: short stacking energy: -24.848
Base-Backbone interact. energy: 1.099
local terms energy: -57.755143
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -78.551352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.551352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.551352 (E_RNA)
where:
Base-Base interactions energy: -33.248
where: short stacking energy: -34.748
Base-Backbone interact. energy: -1.640
local terms energy: -43.663238
where:
bonds (distance) C4'-P energy: -6.158
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -86.328555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.328555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.328555 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -25.362
Base-Backbone interact. energy: -0.164
local terms energy: -57.240959
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -224.710983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.710983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.710983 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -69.165
Base-Backbone interact. energy: -0.117
local terms energy: -70.490091
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -230.466920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.466920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.466920 (E_RNA)
where:
Base-Base interactions energy: -160.865
where: short stacking energy: -72.701
Base-Backbone interact. energy: -0.535
local terms energy: -69.067154
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -19.254
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: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -232.323171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.323171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.323171 (E_RNA)
where:
Base-Base interactions energy: -154.463
where: short stacking energy: -68.122
Base-Backbone interact. energy: -0.056
local terms energy: -77.804291
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -22.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -220.988381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.988381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.988381 (E_RNA)
where:
Base-Base interactions energy: -144.745
where: short stacking energy: -69.402
Base-Backbone interact. energy: -0.181
local terms energy: -76.062025
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -216.294211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.294211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.294211 (E_RNA)
where:
Base-Base interactions energy: -145.750
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.213
local terms energy: -70.331340
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -213.291031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.291031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.291031 (E_RNA)
where:
Base-Base interactions energy: -148.786
where: short stacking energy: -67.919
Base-Backbone interact. energy: -0.013
local terms energy: -64.492231
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -100.048539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.048539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.048539 (E_RNA)
where:
Base-Base interactions energy: -49.584
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.049
local terms energy: -50.415065
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -6.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -94.520585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.520585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.520585 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.139
local terms energy: -55.455612
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -5.573
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: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -90.116878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.116878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.116878 (E_RNA)
where:
Base-Base interactions energy: -31.601
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.046
local terms energy: -58.470173
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -6.144
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -73.662954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.662954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.662954 (E_RNA)
where:
Base-Base interactions energy: -19.333
where: short stacking energy: -15.369
Base-Backbone interact. energy: -0.194
local terms energy: -54.135414
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -236.415020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.415020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.415020 (E_RNA)
where:
Base-Base interactions energy: -159.541
where: short stacking energy: -79.483
Base-Backbone interact. energy: -0.016
local terms energy: -76.858800
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -228.198672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.198672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.198672 (E_RNA)
where:
Base-Base interactions energy: -150.732
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.259
local terms energy: -77.207484
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -238.014515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.014515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.014515 (E_RNA)
where:
Base-Base interactions energy: -158.781
where: short stacking energy: -73.660
Base-Backbone interact. energy: -0.000
local terms energy: -79.232738
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -218.417200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.417200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.417200 (E_RNA)
where:
Base-Base interactions energy: -139.477
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.743
local terms energy: -78.196909
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -202.368770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.368770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.368770 (E_RNA)
where:
Base-Base interactions energy: -135.779
where: short stacking energy: -66.281
Base-Backbone interact. energy: -0.625
local terms energy: -65.964176
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -5.113
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: 6, replica: 4
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -198.629611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.629611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.629611 (E_RNA)
where:
Base-Base interactions energy: -135.329
where: short stacking energy: -52.905
Base-Backbone interact. energy: -0.010
local terms energy: -63.290210
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -100.634911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.634911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.634911 (E_RNA)
where:
Base-Base interactions energy: -40.585
where: short stacking energy: -39.850
Base-Backbone interact. energy: -0.137
local terms energy: -59.912762
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -8.710
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: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -78.975209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.975209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.975209 (E_RNA)
where:
Base-Base interactions energy: -26.517
where: short stacking energy: -25.907
Base-Backbone interact. energy: -0.231
local terms energy: -52.226960
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -5.744
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: 315
Temperature: 1.300000
Total energy: -75.107881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.107881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.107881 (E_RNA)
where:
Base-Base interactions energy: -21.513
where: short stacking energy: -17.460
Base-Backbone interact. energy: -0.304
local terms energy: -53.291541
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -7.372
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: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -84.314705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.314705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.314705 (E_RNA)
where:
Base-Base interactions energy: -31.806
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.261
local terms energy: -52.248212
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -236.743873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.743873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.743873 (E_RNA)
where:
Base-Base interactions energy: -162.631
where: short stacking energy: -71.677
Base-Backbone interact. energy: -0.144
local terms energy: -73.969024
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -226.950150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.950150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.950150 (E_RNA)
where:
Base-Base interactions energy: -153.759
where: short stacking energy: -66.273
Base-Backbone interact. energy: -0.096
local terms energy: -73.095486
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -10.382
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -229.286952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.286952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.286952 (E_RNA)
where:
Base-Base interactions energy: -156.434
where: short stacking energy: -79.213
Base-Backbone interact. energy: -0.608
local terms energy: -72.245125
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -8.791
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: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -213.542337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.542337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.542337 (E_RNA)
where:
Base-Base interactions energy: -144.094
where: short stacking energy: -52.921
Base-Backbone interact. energy: -0.160
local terms energy: -69.288622
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -212.355210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355210 (E_RNA)
where:
Base-Base interactions energy: -138.941
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.048
local terms energy: -73.366464
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -10.365
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: 6, replica: 8
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -212.850004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.850004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.850004 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.016
local terms energy: -68.427583
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -17.353
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: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -87.251607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.251607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.251607 (E_RNA)
where:
Base-Base interactions energy: -32.976
where: short stacking energy: -32.792
Base-Backbone interact. energy: -0.248
local terms energy: -54.027228
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -86.027934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.027934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.027934 (E_RNA)
where:
Base-Base interactions energy: -38.267
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.266
local terms energy: -47.495101
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -11.329
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: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -79.021992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.021992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.021992 (E_RNA)
where:
Base-Base interactions energy: -28.724
where: short stacking energy: -18.450
Base-Backbone interact. energy: -0.106
local terms energy: -50.191841
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -1.543
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: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -78.144964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.144964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.144964 (E_RNA)
where:
Base-Base interactions energy: -30.348
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.243
local terms energy: -47.553716
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -239.539334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.539334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.539334 (E_RNA)
where:
Base-Base interactions energy: -161.747
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.480
local terms energy: -77.312068
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.446
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: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -232.213161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.213161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.213161 (E_RNA)
where:
Base-Base interactions energy: -153.610
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.664
local terms energy: -77.938584
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -19.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -220.515593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.515593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.515593 (E_RNA)
where:
Base-Base interactions energy: -146.137
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.030
local terms energy: -74.349410
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -18.984
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: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -214.644556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.644556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.644556 (E_RNA)
where:
Base-Base interactions energy: -140.709
where: short stacking energy: -70.519
Base-Backbone interact. energy: -0.043
local terms energy: -73.892196
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -19.066
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -215.297865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.297865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.297865 (E_RNA)
where:
Base-Base interactions energy: -148.578
where: short stacking energy: -72.875
Base-Backbone interact. energy: -0.588
local terms energy: -66.131880
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -209.045468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.045468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045468 (E_RNA)
where:
Base-Base interactions energy: -143.613
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.004
local terms energy: -65.428639
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -89.249179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249179 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -38.304
Base-Backbone interact. energy: -0.314
local terms energy: -50.199771
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -79.681476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.681476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.681476 (E_RNA)
where:
Base-Base interactions energy: -31.564
where: short stacking energy: -12.592
Base-Backbone interact. energy: -0.541
local terms energy: -47.576375
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: 3.773
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: 317
Temperature: 1.300000
Total energy: -77.454304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.454304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.454304 (E_RNA)
where:
Base-Base interactions energy: -26.255
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.029
local terms energy: -51.170323
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -88.545692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.545692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.545692 (E_RNA)
where:
Base-Base interactions energy: -47.967
where: short stacking energy: -19.636
Base-Backbone interact. energy: -0.197
local terms energy: -40.382360
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -5.240
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: 4.349
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: 318
Temperature: 0.900000
Total energy: -232.033147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.033147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.033147 (E_RNA)
where:
Base-Base interactions energy: -153.813
where: short stacking energy: -69.429
Base-Backbone interact. energy: -0.018
local terms energy: -78.201635
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -23.144
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: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -219.671637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.671637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671637 (E_RNA)
where:
Base-Base interactions energy: -147.499
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.272
local terms energy: -71.900619
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -227.718096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.718096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.718096 (E_RNA)
where:
Base-Base interactions energy: -153.619
where: short stacking energy: -73.522
Base-Backbone interact. energy: -0.001
local terms energy: -74.097917
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -224.513666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.513666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.513666 (E_RNA)
where:
Base-Base interactions energy: -148.783
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.009
local terms energy: -75.722123
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -218.799621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.799621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.799621 (E_RNA)
where:
Base-Base interactions energy: -142.860
where: short stacking energy: -66.958
Base-Backbone interact. energy: -0.024
local terms energy: -75.915381
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -214.198989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.198989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.198989 (E_RNA)
where:
Base-Base interactions energy: -140.856
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.593
local terms energy: -72.750342
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -109.812348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.812348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.812348 (E_RNA)
where:
Base-Base interactions energy: -50.013
where: short stacking energy: -30.880
Base-Backbone interact. energy: -0.055
local terms energy: -59.744229
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -6.788
flat angles P-C4'-P energy: -7.792
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: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -86.837846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.837846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.837846 (E_RNA)
where:
Base-Base interactions energy: -40.420
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.324
local terms energy: -46.093539
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -85.219568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.219568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.219568 (E_RNA)
where:
Base-Base interactions energy: -34.716
where: short stacking energy: -34.716
Base-Backbone interact. energy: -0.043
local terms energy: -50.461028
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -4.412
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: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -79.077391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.077391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.077391 (E_RNA)
where:
Base-Base interactions energy: -29.243
where: short stacking energy: -29.243
Base-Backbone interact. energy: -0.104
local terms energy: -49.729783
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -235.710564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.710564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.710564 (E_RNA)
where:
Base-Base interactions energy: -157.166
where: short stacking energy: -76.133
Base-Backbone interact. energy: -0.786
local terms energy: -77.758631
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -225.118209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.118209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.118209 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -68.233
Base-Backbone interact. energy: 0.009
local terms energy: -82.709721
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -228.478724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.478724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.478724 (E_RNA)
where:
Base-Base interactions energy: -149.125
where: short stacking energy: -69.353
Base-Backbone interact. energy: -0.179
local terms energy: -79.174412
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -230.606148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.606148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.606148 (E_RNA)
where:
Base-Base interactions energy: -157.137
where: short stacking energy: -74.851
Base-Backbone interact. energy: -0.261
local terms energy: -73.207598
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -213.504291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.504291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.504291 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.006
local terms energy: -72.641290
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -220.695968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.695968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.695968 (E_RNA)
where:
Base-Base interactions energy: -152.997
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.002
local terms energy: -67.696741
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -119.219914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.219914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.219914 (E_RNA)
where:
Base-Base interactions energy: -58.280
where: short stacking energy: -30.933
Base-Backbone interact. energy: -0.052
local terms energy: -60.887917
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -9.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -105.083154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.083154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.083154 (E_RNA)
where:
Base-Base interactions energy: -56.448
where: short stacking energy: -25.806
Base-Backbone interact. energy: -0.148
local terms energy: -48.486874
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -110.589701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.589701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.589701 (E_RNA)
where:
Base-Base interactions energy: -58.480
where: short stacking energy: -33.766
Base-Backbone interact. energy: 0.920
local terms energy: -53.030234
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -8.749
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -9.224
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: 10, replica: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -81.342669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.342669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.342669 (E_RNA)
where:
Base-Base interactions energy: -29.199
where: short stacking energy: -29.199
Base-Backbone interact. energy: 1.169
local terms energy: -53.312516
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -242.001225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.001225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.001225 (E_RNA)
where:
Base-Base interactions energy: -162.879
where: short stacking energy: -77.474
Base-Backbone interact. energy: 0.028
local terms energy: -79.150248
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -229.385636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.385636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.385636 (E_RNA)
where:
Base-Base interactions energy: -149.961
where: short stacking energy: -70.608
Base-Backbone interact. energy: -0.025
local terms energy: -79.399975
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -219.550289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.550289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.550289 (E_RNA)
where:
Base-Base interactions energy: -146.691
where: short stacking energy: -62.325
Base-Backbone interact. energy: -0.575
local terms energy: -72.284432
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -215.304575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.304575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.304575 (E_RNA)
where:
Base-Base interactions energy: -139.702
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.360
local terms energy: -75.242442
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -217.802879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.802879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.802879 (E_RNA)
where:
Base-Base interactions energy: -145.622
where: short stacking energy: -65.086
Base-Backbone interact. energy: -0.522
local terms energy: -71.659223
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -215.950509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.950509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950509 (E_RNA)
where:
Base-Base interactions energy: -144.335
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.487
local terms energy: -71.128133
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -142.876182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.876182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.876182 (E_RNA)
where:
Base-Base interactions energy: -88.215
where: short stacking energy: -47.697
Base-Backbone interact. energy: -0.358
local terms energy: -54.303170
where:
bonds (distance) C4'-P energy: -4.845
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -8.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -83.571462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571462 (E_RNA)
where:
Base-Base interactions energy: -28.205
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.217
local terms energy: -55.149892
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -80.283555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.283555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.283555 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -22.373
Base-Backbone interact. energy: -0.248
local terms energy: -45.568147
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -81.345748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.345748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.345748 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.289
local terms energy: -47.614107
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -234.862837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.862837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.862837 (E_RNA)
where:
Base-Base interactions energy: -153.644
where: short stacking energy: -72.568
Base-Backbone interact. energy: -1.042
local terms energy: -80.177570
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -238.447387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.447387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.447387 (E_RNA)
where:
Base-Base interactions energy: -157.386
where: short stacking energy: -76.054
Base-Backbone interact. energy: -0.646
local terms energy: -80.415777
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -220.188652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.188652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.188652 (E_RNA)
where:
Base-Base interactions energy: -144.668
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.009
local terms energy: -75.511750
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -20.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -226.513512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.513512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.513512 (E_RNA)
where:
Base-Base interactions energy: -147.292
where: short stacking energy: -71.306
Base-Backbone interact. energy: -0.024
local terms energy: -79.197125
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -205.698950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.698950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.698950 (E_RNA)
where:
Base-Base interactions energy: -132.006
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.293
local terms energy: -73.399551
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -13.336
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: 2
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -202.616381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.616381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.616381 (E_RNA)
where:
Base-Base interactions energy: -140.370
where: short stacking energy: -63.707
Base-Backbone interact. energy: -0.923
local terms energy: -61.323661
where:
bonds (distance) C4'-P energy: -5.173
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -181.100514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.100514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.100514 (E_RNA)
where:
Base-Base interactions energy: -118.023
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.005
local terms energy: -63.073047
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -92.903152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.903152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.903152 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.038
local terms energy: -59.232351
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -83.544790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.544790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.544790 (E_RNA)
where:
Base-Base interactions energy: -40.167
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.118
local terms energy: -43.259235
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -1.902
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -75.099181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.099181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.099181 (E_RNA)
where:
Base-Base interactions energy: -22.728
where: short stacking energy: -21.830
Base-Backbone interact. energy: 1.536
local terms energy: -53.907003
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -236.002234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.002234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.002234 (E_RNA)
where:
Base-Base interactions energy: -154.904
where: short stacking energy: -73.497
Base-Backbone interact. energy: -0.009
local terms energy: -81.089251
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -20.250
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: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -230.220246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.220246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.220246 (E_RNA)
where:
Base-Base interactions energy: -153.049
where: short stacking energy: -65.951
Base-Backbone interact. energy: -0.207
local terms energy: -76.963842
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -228.654197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.654197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.654197 (E_RNA)
where:
Base-Base interactions energy: -154.506
where: short stacking energy: -64.308
Base-Backbone interact. energy: -0.160
local terms energy: -73.987937
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -223.866175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.866175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.866175 (E_RNA)
where:
Base-Base interactions energy: -156.374
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.190
local terms energy: -67.301467
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -17.990
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: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -212.259010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.259010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.259010 (E_RNA)
where:
Base-Base interactions energy: -146.588
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.468
local terms energy: -65.202626
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -225.453851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.453851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.453851 (E_RNA)
where:
Base-Base interactions energy: -148.680
where: short stacking energy: -72.627
Base-Backbone interact. energy: 1.959
local terms energy: -78.732911
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -200.037162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.037162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.037162 (E_RNA)
where:
Base-Base interactions energy: -134.117
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.225
local terms energy: -65.694702
where:
bonds (distance) C4'-P energy: -6.456
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -94.393600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.393600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.393600 (E_RNA)
where:
Base-Base interactions energy: -48.598
where: short stacking energy: -30.635
Base-Backbone interact. energy: 1.750
local terms energy: -47.545583
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -2.088
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: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -82.906098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.906098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.906098 (E_RNA)
where:
Base-Base interactions energy: -33.940
where: short stacking energy: -33.940
Base-Backbone interact. energy: -0.023
local terms energy: -48.942518
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -7.809
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -7.745
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: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -79.125759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.125759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.125759 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -38.171
Base-Backbone interact. energy: 0.935
local terms energy: -41.889793
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -4.476
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -4.975
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: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -235.471861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.471861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.471861 (E_RNA)
where:
Base-Base interactions energy: -158.086
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.001
local terms energy: -77.385317
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -233.551653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.551653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.551653 (E_RNA)
where:
Base-Base interactions energy: -150.484
where: short stacking energy: -72.752
Base-Backbone interact. energy: -0.003
local terms energy: -83.064950
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -222.250254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.250254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.250254 (E_RNA)
where:
Base-Base interactions energy: -150.587
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.045
local terms energy: -71.618967
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -233.548000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.548000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548000 (E_RNA)
where:
Base-Base interactions energy: -156.628
where: short stacking energy: -72.566
Base-Backbone interact. energy: 1.115
local terms energy: -78.034954
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -219.311897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.311897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.311897 (E_RNA)
where:
Base-Base interactions energy: -143.538
where: short stacking energy: -61.759
Base-Backbone interact. energy: -0.581
local terms energy: -75.192982
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -208.746703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.746703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.746703 (E_RNA)
where:
Base-Base interactions energy: -140.197
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.302
local terms energy: -68.247618
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -7.906
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: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -204.491575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.491575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.491575 (E_RNA)
where:
Base-Base interactions energy: -141.243
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.109
local terms energy: -63.139817
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -9.558
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: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -89.081412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.081412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.081412 (E_RNA)
where:
Base-Base interactions energy: -27.098
where: short stacking energy: -24.974
Base-Backbone interact. energy: -0.425
local terms energy: -61.558256
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -95.406093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.406093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.406093 (E_RNA)
where:
Base-Base interactions energy: -39.891
where: short stacking energy: -28.370
Base-Backbone interact. energy: -0.255
local terms energy: -55.260647
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -13.683
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: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -89.698825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698825 (E_RNA)
where:
Base-Base interactions energy: -34.242
where: short stacking energy: -27.619
Base-Backbone interact. energy: 0.814
local terms energy: -56.269965
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -232.994944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.994944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.994944 (E_RNA)
where:
Base-Base interactions energy: -150.532
where: short stacking energy: -73.775
Base-Backbone interact. energy: -0.245
local terms energy: -82.217773
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -228.547836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.547836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.547836 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -70.232
Base-Backbone interact. energy: -0.096
local terms energy: -78.726161
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -230.743476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.743476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.743476 (E_RNA)
where:
Base-Base interactions energy: -154.056
where: short stacking energy: -74.915
Base-Backbone interact. energy: -0.001
local terms energy: -76.686899
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -209.241450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.241450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.241450 (E_RNA)
where:
Base-Base interactions energy: -135.078
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.079
local terms energy: -74.084102
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -17.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -216.544539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544539 (E_RNA)
where:
Base-Base interactions energy: -147.873
where: short stacking energy: -65.178
Base-Backbone interact. energy: 1.417
local terms energy: -70.088331
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -210.003493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.003493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.003493 (E_RNA)
where:
Base-Base interactions energy: -137.973
where: short stacking energy: -74.150
Base-Backbone interact. energy: -1.633
local terms energy: -70.397367
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -174.689847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.689847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.689847 (E_RNA)
where:
Base-Base interactions energy: -117.293
where: short stacking energy: -53.248
Base-Backbone interact. energy: -0.014
local terms energy: -57.382623
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -95.219225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.219225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.219225 (E_RNA)
where:
Base-Base interactions energy: -41.935
where: short stacking energy: -40.924
Base-Backbone interact. energy: -0.049
local terms energy: -53.235165
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -5.501
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: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -84.845944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.845944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.845944 (E_RNA)
where:
Base-Base interactions energy: -27.800
where: short stacking energy: -26.677
Base-Backbone interact. energy: -0.007
local terms energy: -57.038321
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -77.597116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.597116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.597116 (E_RNA)
where:
Base-Base interactions energy: -35.904
where: short stacking energy: -25.637
Base-Backbone interact. energy: -0.313
local terms energy: -41.379806
where:
bonds (distance) C4'-P energy: -5.880
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: 0.162
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: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -234.093479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.093479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.093479 (E_RNA)
where:
Base-Base interactions energy: -153.452
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.003
local terms energy: -80.638110
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -13.876
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: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -231.007857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.007857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.007857 (E_RNA)
where:
Base-Base interactions energy: -154.543
where: short stacking energy: -69.516
Base-Backbone interact. energy: -0.021
local terms energy: -76.443744
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -226.933738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.933738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.933738 (E_RNA)
where:
Base-Base interactions energy: -145.869
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.001
local terms energy: -81.063700
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -210.531209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.531209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.531209 (E_RNA)
where:
Base-Base interactions energy: -135.009
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.014
local terms energy: -75.507697
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -209.795704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.795704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.795704 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.045
local terms energy: -67.410845
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -214.469720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.469720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.469720 (E_RNA)
where:
Base-Base interactions energy: -142.544
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.352
local terms energy: -71.573584
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -8.465
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: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -209.578852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.578852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.578852 (E_RNA)
where:
Base-Base interactions energy: -137.977
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.183
local terms energy: -71.418932
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -96.256686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.256686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.256686 (E_RNA)
where:
Base-Base interactions energy: -48.134
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.301
local terms energy: -47.821355
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -88.365487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.365487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.365487 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -19.296
Base-Backbone interact. energy: -1.065
local terms energy: -55.740172
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -70.182495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.182495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.182495 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -23.093
Base-Backbone interact. energy: -0.282
local terms energy: -41.679975
where:
bonds (distance) C4'-P energy: -4.535
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -240.063323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.063323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.063323 (E_RNA)
where:
Base-Base interactions energy: -159.289
where: short stacking energy: -73.676
Base-Backbone interact. energy: -0.071
local terms energy: -80.703101
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -233.790490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.790490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.790490 (E_RNA)
where:
Base-Base interactions energy: -153.905
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.322
local terms energy: -79.563818
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -225.466072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.466072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.466072 (E_RNA)
where:
Base-Base interactions energy: -153.392
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.006
local terms energy: -72.068585
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -22.176
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: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -223.484867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.484867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.484867 (E_RNA)
where:
Base-Base interactions energy: -146.661
where: short stacking energy: -65.967
Base-Backbone interact. energy: -0.420
local terms energy: -76.403931
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -21.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -228.818954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.818954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.818954 (E_RNA)
where:
Base-Base interactions energy: -155.933
where: short stacking energy: -76.042
Base-Backbone interact. energy: -0.030
local terms energy: -72.856391
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -207.326399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.326399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.326399 (E_RNA)
where:
Base-Base interactions energy: -132.795
where: short stacking energy: -59.085
Base-Backbone interact. energy: -1.199
local terms energy: -73.332581
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -17.067
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: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -207.805880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.805880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.805880 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -69.220
Base-Backbone interact. energy: 1.524
local terms energy: -68.664787
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -86.482135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.482135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.482135 (E_RNA)
where:
Base-Base interactions energy: -36.734
where: short stacking energy: -36.734
Base-Backbone interact. energy: -0.047
local terms energy: -49.701326
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -81.680661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.680661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.680661 (E_RNA)
where:
Base-Base interactions energy: -35.435
where: short stacking energy: -35.435
Base-Backbone interact. energy: -0.122
local terms energy: -46.124118
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -82.667279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.667279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.667279 (E_RNA)
where:
Base-Base interactions energy: -34.339
where: short stacking energy: -30.375
Base-Backbone interact. energy: 0.171
local terms energy: -48.499310
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -238.145572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.145572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.145572 (E_RNA)
where:
Base-Base interactions energy: -157.803
where: short stacking energy: -74.511
Base-Backbone interact. energy: -0.577
local terms energy: -79.765206
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -230.246662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.246662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.246662 (E_RNA)
where:
Base-Base interactions energy: -149.121
where: short stacking energy: -76.988
Base-Backbone interact. energy: -0.001
local terms energy: -81.124913
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -22.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -226.192565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.192565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.192565 (E_RNA)
where:
Base-Base interactions energy: -152.165
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.002
local terms energy: -74.025380
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -11.037
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: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -227.220196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.220196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.220196 (E_RNA)
where:
Base-Base interactions energy: -154.389
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.010
local terms energy: -72.820909
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -216.980118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.980118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.980118 (E_RNA)
where:
Base-Base interactions energy: -147.094
where: short stacking energy: -68.766
Base-Backbone interact. energy: -0.036
local terms energy: -69.849817
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -8.749
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.053
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: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -181.362755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.362755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.362755 (E_RNA)
where:
Base-Base interactions energy: -111.870
where: short stacking energy: -51.779
Base-Backbone interact. energy: -0.831
local terms energy: -68.661581
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -188.042750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.042750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.042750 (E_RNA)
where:
Base-Base interactions energy: -124.019
where: short stacking energy: -53.167
Base-Backbone interact. energy: -0.709
local terms energy: -63.314494
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -11.257
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: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -95.192191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.192191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.192191 (E_RNA)
where:
Base-Base interactions energy: -43.411
where: short stacking energy: -34.235
Base-Backbone interact. energy: -0.001
local terms energy: -51.780408
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -83.788217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.788217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.788217 (E_RNA)
where:
Base-Base interactions energy: -31.122
where: short stacking energy: -31.122
Base-Backbone interact. energy: 0.423
local terms energy: -53.088543
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -5.512
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: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -76.509793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.509793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.509793 (E_RNA)
where:
Base-Base interactions energy: -26.519
where: short stacking energy: -26.519
Base-Backbone interact. energy: -0.120
local terms energy: -49.871087
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -242.130537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.130537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.130537 (E_RNA)
where:
Base-Base interactions energy: -157.465
where: short stacking energy: -75.723
Base-Backbone interact. energy: -0.308
local terms energy: -84.357417
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -23.358
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: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -235.184073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.184073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.184073 (E_RNA)
where:
Base-Base interactions energy: -153.026
where: short stacking energy: -73.711
Base-Backbone interact. energy: -0.003
local terms energy: -82.155499
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -222.389764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.389764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.389764 (E_RNA)
where:
Base-Base interactions energy: -150.720
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.446
local terms energy: -71.223601
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -225.978525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.978525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.978525 (E_RNA)
where:
Base-Base interactions energy: -147.107
where: short stacking energy: -66.655
Base-Backbone interact. energy: -0.029
local terms energy: -78.841774
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -219.863426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.863426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.863426 (E_RNA)
where:
Base-Base interactions energy: -145.062
where: short stacking energy: -69.864
Base-Backbone interact. energy: 0.430
local terms energy: -75.231442
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -205.502725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.502725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.502725 (E_RNA)
where:
Base-Base interactions energy: -138.080
where: short stacking energy: -58.552
Base-Backbone interact. energy: -0.063
local terms energy: -67.359529
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -16.132
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: 5
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -196.864191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.864191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.864191 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.052
local terms energy: -64.469839
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -11.393
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: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -106.282592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.282592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.282592 (E_RNA)
where:
Base-Base interactions energy: -41.816
where: short stacking energy: -41.816
Base-Backbone interact. energy: -0.002
local terms energy: -64.465065
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -13.689
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: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -88.308875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.308875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.308875 (E_RNA)
where:
Base-Base interactions energy: -36.239
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.094
local terms energy: -51.976242
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -80.989605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.989605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.989605 (E_RNA)
where:
Base-Base interactions energy: -37.112
where: short stacking energy: -32.873
Base-Backbone interact. energy: -0.310
local terms energy: -43.567469
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -4.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -237.697255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.697255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.697255 (E_RNA)
where:
Base-Base interactions energy: -157.392
where: short stacking energy: -75.430
Base-Backbone interact. energy: -0.040
local terms energy: -80.265172
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -235.556588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.556588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.556588 (E_RNA)
where:
Base-Base interactions energy: -151.495
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.039
local terms energy: -84.022591
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -20.454
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: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -224.310802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.310802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310802 (E_RNA)
where:
Base-Base interactions energy: -151.509
where: short stacking energy: -69.567
Base-Backbone interact. energy: -0.001
local terms energy: -72.800945
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -223.794069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.794069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.794069 (E_RNA)
where:
Base-Base interactions energy: -147.339
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.011
local terms energy: -76.444670
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.316
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: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -214.869532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.869532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.869532 (E_RNA)
where:
Base-Base interactions energy: -141.194
where: short stacking energy: -64.505
Base-Backbone interact. energy: -0.034
local terms energy: -73.641885
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -207.817230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.817230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.817230 (E_RNA)
where:
Base-Base interactions energy: -137.117
where: short stacking energy: -59.226
Base-Backbone interact. energy: -0.001
local terms energy: -70.698975
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -156.234833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.234833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.234833 (E_RNA)
where:
Base-Base interactions energy: -99.476
where: short stacking energy: -43.497
Base-Backbone interact. energy: 1.791
local terms energy: -58.550554
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -8.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -91.978559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978559 (E_RNA)
where:
Base-Base interactions energy: -41.830
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.349
local terms energy: -49.799731
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -10.034
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -102.826216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.826216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.826216 (E_RNA)
where:
Base-Base interactions energy: -50.330
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.714
local terms energy: -51.782440
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -6.721
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: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -73.535594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.535594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.535594 (E_RNA)
where:
Base-Base interactions energy: -27.549
where: short stacking energy: -27.949
Base-Backbone interact. energy: 1.702
local terms energy: -47.689082
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: 0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -231.398162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.398162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.398162 (E_RNA)
where:
Base-Base interactions energy: -151.570
where: short stacking energy: -74.625
Base-Backbone interact. energy: -0.001
local terms energy: -79.827528
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -229.628611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.628611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.628611 (E_RNA)
where:
Base-Base interactions energy: -149.164
where: short stacking energy: -76.195
Base-Backbone interact. energy: -0.017
local terms energy: -80.447099
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -226.040916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.040916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.040916 (E_RNA)
where:
Base-Base interactions energy: -150.431
where: short stacking energy: -66.463
Base-Backbone interact. energy: -0.225
local terms energy: -75.385214
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -16.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -222.175498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.175498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.175498 (E_RNA)
where:
Base-Base interactions energy: -152.144
where: short stacking energy: -64.297
Base-Backbone interact. energy: -0.240
local terms energy: -69.791402
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -209.500533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.500533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.500533 (E_RNA)
where:
Base-Base interactions energy: -142.326
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.592
local terms energy: -66.582233
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -211.746469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.746469 (E_RNA)
where:
Base-Base interactions energy: -134.714
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.541
local terms energy: -76.490833
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -171.134038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.134038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.134038 (E_RNA)
where:
Base-Base interactions energy: -108.167
where: short stacking energy: -47.612
Base-Backbone interact. energy: -0.573
local terms energy: -62.394005
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -113.714601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.714601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.714601 (E_RNA)
where:
Base-Base interactions energy: -60.048
where: short stacking energy: -43.862
Base-Backbone interact. energy: -0.244
local terms energy: -53.423564
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -7.667
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -10.545
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: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -123.532395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.532395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.532395 (E_RNA)
where:
Base-Base interactions energy: -72.474
where: short stacking energy: -29.481
Base-Backbone interact. energy: -1.016
local terms energy: -50.042025
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -82.823603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823603 (E_RNA)
where:
Base-Base interactions energy: -39.161
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.209
local terms energy: -43.453796
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -10.929
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: 1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -238.050276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.050276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.050276 (E_RNA)
where:
Base-Base interactions energy: -156.916
where: short stacking energy: -79.066
Base-Backbone interact. energy: -0.314
local terms energy: -80.819730
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -10.667
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: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -221.822905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.822905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.822905 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -70.856
Base-Backbone interact. energy: -0.008
local terms energy: -72.262900
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -232.984116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.984116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.984116 (E_RNA)
where:
Base-Base interactions energy: -161.352
where: short stacking energy: -75.265
Base-Backbone interact. energy: -0.002
local terms energy: -71.630748
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -224.278473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.278473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.278473 (E_RNA)
where:
Base-Base interactions energy: -150.070
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.008
local terms energy: -74.199840
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -19.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -208.133139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.133139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.133139 (E_RNA)
where:
Base-Base interactions energy: -144.527
where: short stacking energy: -63.723
Base-Backbone interact. energy: 1.593
local terms energy: -65.199176
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.659
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: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -200.327362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.327362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.327362 (E_RNA)
where:
Base-Base interactions energy: -131.782
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.658
local terms energy: -67.886955
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -182.397429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.397429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.397429 (E_RNA)
where:
Base-Base interactions energy: -123.199
where: short stacking energy: -49.010
Base-Backbone interact. energy: -0.495
local terms energy: -58.704152
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -13.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -109.523814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.523814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.523814 (E_RNA)
where:
Base-Base interactions energy: -58.837
where: short stacking energy: -42.095
Base-Backbone interact. energy: -0.038
local terms energy: -50.649236
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -7.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -81.154081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.154081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.154081 (E_RNA)
where:
Base-Base interactions energy: -30.760
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.049
local terms energy: -50.345074
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -79.927472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.927472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.927472 (E_RNA)
where:
Base-Base interactions energy: -33.873
where: short stacking energy: -27.034
Base-Backbone interact. energy: -0.057
local terms energy: -45.997815
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -230.575813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.575813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.575813 (E_RNA)
where:
Base-Base interactions energy: -153.885
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.501
local terms energy: -76.188990
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -19.713
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: 332
Temperature: 0.950000
Total energy: -230.010187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.010187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.010187 (E_RNA)
where:
Base-Base interactions energy: -150.740
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.510
local terms energy: -78.760797
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -232.158109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.158109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.158109 (E_RNA)
where:
Base-Base interactions energy: -158.126
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.118
local terms energy: -73.914066
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -219.143849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.143849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.143849 (E_RNA)
where:
Base-Base interactions energy: -141.181
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.248
local terms energy: -77.714869
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -21.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -211.018361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.018361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.018361 (E_RNA)
where:
Base-Base interactions energy: -138.757
where: short stacking energy: -66.294
Base-Backbone interact. energy: 0.606
local terms energy: -72.867162
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -203.391918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.391918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.391918 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.586
local terms energy: -72.726512
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -103.056168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.056168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.056168 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -36.256
Base-Backbone interact. energy: -0.012
local terms energy: -58.198963
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -195.331103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.331103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.331103 (E_RNA)
where:
Base-Base interactions energy: -137.254
where: short stacking energy: -63.963
Base-Backbone interact. energy: -0.055
local terms energy: -58.022716
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -96.751020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.751020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.751020 (E_RNA)
where:
Base-Base interactions energy: -46.088
where: short stacking energy: -27.089
Base-Backbone interact. energy: -0.076
local terms energy: -50.586776
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -1.083
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: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -97.974776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.974776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.974776 (E_RNA)
where:
Base-Base interactions energy: -50.173
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.177
local terms energy: -47.624541
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -239.265506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.265506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.265506 (E_RNA)
where:
Base-Base interactions energy: -163.456
where: short stacking energy: -76.674
Base-Backbone interact. energy: -0.008
local terms energy: -75.801636
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -227.227528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.227528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.227528 (E_RNA)
where:
Base-Base interactions energy: -151.968
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.039
local terms energy: -75.221307
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -18.033
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: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -229.612594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.612594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.612594 (E_RNA)
where:
Base-Base interactions energy: -154.033
where: short stacking energy: -75.982
Base-Backbone interact. energy: 0.283
local terms energy: -75.862008
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -211.172007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.172007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.172007 (E_RNA)
where:
Base-Base interactions energy: -147.946
where: short stacking energy: -67.224
Base-Backbone interact. energy: -0.004
local terms energy: -63.221679
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -16.496
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: 333
Temperature: 1.100000
Total energy: -221.149506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.149506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.149506 (E_RNA)
where:
Base-Base interactions energy: -147.235
where: short stacking energy: -71.070
Base-Backbone interact. energy: -0.004
local terms energy: -73.910359
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -191.851383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.851383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.851383 (E_RNA)
where:
Base-Base interactions energy: -125.868
where: short stacking energy: -60.135
Base-Backbone interact. energy: -0.020
local terms energy: -65.962985
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -114.793000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.793000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.793000 (E_RNA)
where:
Base-Base interactions energy: -55.493
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.129
local terms energy: -59.171166
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -210.595689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.595689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.595689 (E_RNA)
where:
Base-Base interactions energy: -146.322
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.016
local terms energy: -64.257826
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -20.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -109.377758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.377758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.377758 (E_RNA)
where:
Base-Base interactions energy: -51.708
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.022
local terms energy: -57.647217
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -89.784487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.784487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.784487 (E_RNA)
where:
Base-Base interactions energy: -39.428
where: short stacking energy: -34.842
Base-Backbone interact. energy: 2.215
local terms energy: -52.571885
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -6.268
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -231.674968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.674968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.674968 (E_RNA)
where:
Base-Base interactions energy: -154.674
where: short stacking energy: -70.142
Base-Backbone interact. energy: -0.088
local terms energy: -76.912651
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -22.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -227.988700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.988700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.988700 (E_RNA)
where:
Base-Base interactions energy: -149.509
where: short stacking energy: -67.380
Base-Backbone interact. energy: -0.651
local terms energy: -77.829439
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -20.471
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: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -211.749292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.749292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.749292 (E_RNA)
where:
Base-Base interactions energy: -138.379
where: short stacking energy: -59.603
Base-Backbone interact. energy: 0.183
local terms energy: -73.553011
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -219.831411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.831411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.831411 (E_RNA)
where:
Base-Base interactions energy: -141.098
where: short stacking energy: -67.309
Base-Backbone interact. energy: -0.764
local terms energy: -77.969061
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -220.885364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.885364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.885364 (E_RNA)
where:
Base-Base interactions energy: -145.762
where: short stacking energy: -67.241
Base-Backbone interact. energy: -0.002
local terms energy: -75.121597
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -20.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -170.807000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.807000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.807000 (E_RNA)
where:
Base-Base interactions energy: -96.815
where: short stacking energy: -51.200
Base-Backbone interact. energy: -0.093
local terms energy: -73.898397
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -16.007
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: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -210.223122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.223122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.223122 (E_RNA)
where:
Base-Base interactions energy: -137.409
where: short stacking energy: -60.798
Base-Backbone interact. energy: -0.008
local terms energy: -72.806342
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -97.584246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.584246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.584246 (E_RNA)
where:
Base-Base interactions energy: -40.816
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.215
local terms energy: -56.552844
where:
bonds (distance) C4'-P energy: -8.099
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -92.825016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.825016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.825016 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -33.440
Base-Backbone interact. energy: -0.108
local terms energy: -59.277285
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -73.668652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.668652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.668652 (E_RNA)
where:
Base-Base interactions energy: -32.572
where: short stacking energy: -22.048
Base-Backbone interact. energy: -0.196
local terms energy: -40.900601
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: 0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -240.106255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.106255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.106255 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -72.326
Base-Backbone interact. energy: -0.609
local terms energy: -84.333004
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -22.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -233.829279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.829279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.829279 (E_RNA)
where:
Base-Base interactions energy: -150.576
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.094
local terms energy: -83.159536
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -229.345814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.345814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.345814 (E_RNA)
where:
Base-Base interactions energy: -159.876
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.253
local terms energy: -69.216706
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -224.940650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.940650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.940650 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -69.674
Base-Backbone interact. energy: -0.292
local terms energy: -72.131672
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -9.057
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: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -212.071181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.071181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.071181 (E_RNA)
where:
Base-Base interactions energy: -145.431
where: short stacking energy: -64.921
Base-Backbone interact. energy: -0.055
local terms energy: -66.584744
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -212.355532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355532 (E_RNA)
where:
Base-Base interactions energy: -148.703
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.061
local terms energy: -63.591949
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -6.504
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: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -171.335736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.335736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.335736 (E_RNA)
where:
Base-Base interactions energy: -106.938
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.627
local terms energy: -63.770720
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -91.927162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.927162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.927162 (E_RNA)
where:
Base-Base interactions energy: -37.474
where: short stacking energy: -37.322
Base-Backbone interact. energy: -0.010
local terms energy: -54.442822
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -7.892
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -6.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -86.073000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.073000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.073000 (E_RNA)
where:
Base-Base interactions energy: -40.789
where: short stacking energy: -31.136
Base-Backbone interact. energy: -0.880
local terms energy: -44.404457
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -84.260055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.260055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.260055 (E_RNA)
where:
Base-Base interactions energy: -32.721
where: short stacking energy: -36.621
Base-Backbone interact. energy: -0.109
local terms energy: -51.429904
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -232.761242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.761242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.761242 (E_RNA)
where:
Base-Base interactions energy: -154.610
where: short stacking energy: -71.296
Base-Backbone interact. energy: -0.704
local terms energy: -77.447084
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -228.487551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.487551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.487551 (E_RNA)
where:
Base-Base interactions energy: -150.323
where: short stacking energy: -67.333
Base-Backbone interact. energy: -0.021
local terms energy: -78.143970
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -21.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -221.980906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.980906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.980906 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -72.732
Base-Backbone interact. energy: -0.553
local terms energy: -73.808240
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -212.534947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.534947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.534947 (E_RNA)
where:
Base-Base interactions energy: -138.101
where: short stacking energy: -62.362
Base-Backbone interact. energy: 0.005
local terms energy: -74.438741
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -192.916765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.916765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.916765 (E_RNA)
where:
Base-Base interactions energy: -119.828
where: short stacking energy: -62.250
Base-Backbone interact. energy: -0.007
local terms energy: -73.081770
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -14.745
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: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -208.634983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.634983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.634983 (E_RNA)
where:
Base-Base interactions energy: -140.893
where: short stacking energy: -66.301
Base-Backbone interact. energy: -0.094
local terms energy: -67.647684
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -218.083025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.083025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.083025 (E_RNA)
where:
Base-Base interactions energy: -143.726
where: short stacking energy: -62.986
Base-Backbone interact. energy: -0.019
local terms energy: -74.338211
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -84.777406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777406 (E_RNA)
where:
Base-Base interactions energy: -35.239
where: short stacking energy: -35.077
Base-Backbone interact. energy: -0.263
local terms energy: -49.274864
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.540
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: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -72.834509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.834509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.834509 (E_RNA)
where:
Base-Base interactions energy: -30.515
where: short stacking energy: -20.129
Base-Backbone interact. energy: -0.217
local terms energy: -42.101630
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: 2.361
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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -88.074155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.074155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.074155 (E_RNA)
where:
Base-Base interactions energy: -39.892
where: short stacking energy: -28.292
Base-Backbone interact. energy: -0.046
local terms energy: -48.136226
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -235.663266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.663266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.663266 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -75.185
Base-Backbone interact. energy: -0.722
local terms energy: -81.167392
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -236.028629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.028629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.028629 (E_RNA)
where:
Base-Base interactions energy: -158.486
where: short stacking energy: -76.212
Base-Backbone interact. energy: -0.004
local terms energy: -77.538558
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -21.423
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: 337
Temperature: 1.000000
Total energy: -216.376937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.376937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.376937 (E_RNA)
where:
Base-Base interactions energy: -147.188
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.007
local terms energy: -69.182115
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -12.205
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: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -219.026186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.026186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.026186 (E_RNA)
where:
Base-Base interactions energy: -150.253
where: short stacking energy: -68.710
Base-Backbone interact. energy: -0.275
local terms energy: -68.497982
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -18.855
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: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -219.870229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.870229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.870229 (E_RNA)
where:
Base-Base interactions energy: -145.926
where: short stacking energy: -65.317
Base-Backbone interact. energy: -0.161
local terms energy: -73.783014
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -18.268
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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -222.826701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.826701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.826701 (E_RNA)
where:
Base-Base interactions energy: -146.906
where: short stacking energy: -70.162
Base-Backbone interact. energy: -0.026
local terms energy: -75.894767
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -203.601503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.601503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.601503 (E_RNA)
where:
Base-Base interactions energy: -139.370
where: short stacking energy: -64.431
Base-Backbone interact. energy: -0.594
local terms energy: -63.637389
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -7.659
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -6.162
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: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -97.867834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.867834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.867834 (E_RNA)
where:
Base-Base interactions energy: -54.745
where: short stacking energy: -32.975
Base-Backbone interact. energy: -0.192
local terms energy: -42.930358
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -104.576386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.576386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.576386 (E_RNA)
where:
Base-Base interactions energy: -54.693
where: short stacking energy: -32.442
Base-Backbone interact. energy: -0.243
local terms energy: -49.641008
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -6.432
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: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -71.061948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.061948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.061948 (E_RNA)
where:
Base-Base interactions energy: -24.607
where: short stacking energy: -20.279
Base-Backbone interact. energy: 0.055
local terms energy: -46.509369
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.706
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: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -238.341650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.341650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.341650 (E_RNA)
where:
Base-Base interactions energy: -157.697
where: short stacking energy: -71.338
Base-Backbone interact. energy: -0.001
local terms energy: -80.643970
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -22.518
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: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -226.794478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.794478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.794478 (E_RNA)
where:
Base-Base interactions energy: -144.005
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.110
local terms energy: -82.678873
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -223.015936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.015936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.015936 (E_RNA)
where:
Base-Base interactions energy: -143.429
where: short stacking energy: -65.649
Base-Backbone interact. energy: -0.159
local terms energy: -79.427438
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -227.146991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.146991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.146991 (E_RNA)
where:
Base-Base interactions energy: -143.348
where: short stacking energy: -71.759
Base-Backbone interact. energy: -0.792
local terms energy: -83.007191
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -216.413746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.413746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.413746 (E_RNA)
where:
Base-Base interactions energy: -138.238
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.001
local terms energy: -78.174486
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -214.891405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.891405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.891405 (E_RNA)
where:
Base-Base interactions energy: -142.357
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.056
local terms energy: -72.478983
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -20.475
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: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -207.193086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.193086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.193086 (E_RNA)
where:
Base-Base interactions energy: -136.268
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.007
local terms energy: -70.918450
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -18.335
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: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -78.945608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.945608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.945608 (E_RNA)
where:
Base-Base interactions energy: -25.425
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.400
local terms energy: -53.120364
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -90.441015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.441015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.441015 (E_RNA)
where:
Base-Base interactions energy: -37.132
where: short stacking energy: -26.754
Base-Backbone interact. energy: -0.030
local terms energy: -53.279039
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.767
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: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -80.287560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.287560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.287560 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -21.229
Base-Backbone interact. energy: -0.049
local terms energy: -46.288585
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: 2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -233.553599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.553599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.553599 (E_RNA)
where:
Base-Base interactions energy: -151.974
where: short stacking energy: -75.166
Base-Backbone interact. energy: -0.022
local terms energy: -81.556774
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -21.267
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: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -229.038584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.038584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.038584 (E_RNA)
where:
Base-Base interactions energy: -153.528
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.070
local terms energy: -75.440360
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -20.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -224.767346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.767346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.767346 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.685
local terms energy: -76.236046
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -227.481247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.481247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.481247 (E_RNA)
where:
Base-Base interactions energy: -158.954
where: short stacking energy: -76.627
Base-Backbone interact. energy: 1.872
local terms energy: -70.399487
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -220.203984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.203984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.203984 (E_RNA)
where:
Base-Base interactions energy: -143.443
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.058
local terms energy: -76.703364
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -22.726
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: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -208.087596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.087596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087596 (E_RNA)
where:
Base-Base interactions energy: -138.251
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.001
local terms energy: -69.835022
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -202.653243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.653243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.653243 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -65.999
Base-Backbone interact. energy: -0.024
local terms energy: -71.524963
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -22.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -98.379917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.379917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.379917 (E_RNA)
where:
Base-Base interactions energy: -46.396
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.197
local terms energy: -51.787239
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -8.408
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -83.472785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.472785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.472785 (E_RNA)
where:
Base-Base interactions energy: -34.855
where: short stacking energy: -26.829
Base-Backbone interact. energy: -0.838
local terms energy: -47.779634
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -94.508600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.508600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.508600 (E_RNA)
where:
Base-Base interactions energy: -43.325
where: short stacking energy: -31.261
Base-Backbone interact. energy: -0.008
local terms energy: -51.175047
where:
bonds (distance) C4'-P energy: -8.417
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -237.505363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.505363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.505363 (E_RNA)
where:
Base-Base interactions energy: -156.585
where: short stacking energy: -77.148
Base-Backbone interact. energy: -0.023
local terms energy: -80.897523
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -232.075354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.075354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.075354 (E_RNA)
where:
Base-Base interactions energy: -154.304
where: short stacking energy: -77.432
Base-Backbone interact. energy: -0.621
local terms energy: -77.150555
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -20.059
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -224.429382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.429382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.429382 (E_RNA)
where:
Base-Base interactions energy: -152.217
where: short stacking energy: -71.990
Base-Backbone interact. energy: -0.413
local terms energy: -71.799938
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -223.270007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.270007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.270007 (E_RNA)
where:
Base-Base interactions energy: -149.601
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.155
local terms energy: -73.514253
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -22.329
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: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -221.690800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.690800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.690800 (E_RNA)
where:
Base-Base interactions energy: -143.707
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.238
local terms energy: -77.746002
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -218.945370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.945370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.945370 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.065
local terms energy: -75.209399
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -22.170
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: 340
Temperature: 1.200000
Total energy: -177.632544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.632544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.632544 (E_RNA)
where:
Base-Base interactions energy: -109.625
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.859
local terms energy: -67.148545
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -7.163
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: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -90.019175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.019175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.019175 (E_RNA)
where:
Base-Base interactions energy: -49.039
where: short stacking energy: -23.178
Base-Backbone interact. energy: 1.147
local terms energy: -42.127123
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: 1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -85.279832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.279832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.279832 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -24.410
Base-Backbone interact. energy: -0.286
local terms energy: -49.084804
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -6.854
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: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -77.921139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.921139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.921139 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.488
local terms energy: -40.823635
where:
bonds (distance) C4'-P energy: -2.813
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -235.299380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.299380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.299380 (E_RNA)
where:
Base-Base interactions energy: -155.242
where: short stacking energy: -67.365
Base-Backbone interact. energy: -0.033
local terms energy: -80.024555
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -22.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -229.944311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.944311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.944311 (E_RNA)
where:
Base-Base interactions energy: -152.583
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.060
local terms energy: -77.301785
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -221.768466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.768466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.768466 (E_RNA)
where:
Base-Base interactions energy: -146.538
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.490
local terms energy: -74.740112
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -223.651991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.651991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.651991 (E_RNA)
where:
Base-Base interactions energy: -150.766
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.020
local terms energy: -72.866123
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -20.836
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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -207.485432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.485432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.485432 (E_RNA)
where:
Base-Base interactions energy: -132.858
where: short stacking energy: -62.668
Base-Backbone interact. energy: -0.003
local terms energy: -74.624343
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -199.635224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.635224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.635224 (E_RNA)
where:
Base-Base interactions energy: -129.539
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.018
local terms energy: -70.078174
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -210.017507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.017507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.017507 (E_RNA)
where:
Base-Base interactions energy: -138.959
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.676
local terms energy: -70.382771
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -93.967304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.967304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.967304 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -29.862
Base-Backbone interact. energy: -0.187
local terms energy: -63.917729
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -91.174305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.174305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.174305 (E_RNA)
where:
Base-Base interactions energy: -40.230
where: short stacking energy: -19.428
Base-Backbone interact. energy: -0.103
local terms energy: -50.841892
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -7.510
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -3.061
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: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -90.446801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.446801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.446801 (E_RNA)
where:
Base-Base interactions energy: -33.966
where: short stacking energy: -33.707
Base-Backbone interact. energy: -1.875
local terms energy: -54.606304
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -231.668790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.668790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.668790 (E_RNA)
where:
Base-Base interactions energy: -153.176
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.003
local terms energy: -78.490302
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -228.763209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.763209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.763209 (E_RNA)
where:
Base-Base interactions energy: -151.122
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.004
local terms energy: -77.637853
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -227.478621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.478621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.478621 (E_RNA)
where:
Base-Base interactions energy: -152.930
where: short stacking energy: -69.938
Base-Backbone interact. energy: -0.495
local terms energy: -74.053211
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -211.605058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.605058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.605058 (E_RNA)
where:
Base-Base interactions energy: -140.081
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.423
local terms energy: -71.101053
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -10.274
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: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -210.699192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.699192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.699192 (E_RNA)
where:
Base-Base interactions energy: -142.049
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.459
local terms energy: -68.191536
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -11.535
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -189.937754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.937754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.937754 (E_RNA)
where:
Base-Base interactions energy: -120.042
where: short stacking energy: -55.748
Base-Backbone interact. energy: 1.161
local terms energy: -71.056488
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -206.363052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.363052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.363052 (E_RNA)
where:
Base-Base interactions energy: -136.361
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.140
local terms energy: -69.861483
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.778
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: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -94.587578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.587578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.587578 (E_RNA)
where:
Base-Base interactions energy: -37.508
where: short stacking energy: -33.159
Base-Backbone interact. energy: 0.518
local terms energy: -57.597755
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -82.237148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.237148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.237148 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -28.267
Base-Backbone interact. energy: 0.034
local terms energy: -51.758675
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -76.525865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.525865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.525865 (E_RNA)
where:
Base-Base interactions energy: -26.148
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.924
local terms energy: -49.453831
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -230.288589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.288589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.288589 (E_RNA)
where:
Base-Base interactions energy: -151.728
where: short stacking energy: -66.203
Base-Backbone interact. energy: -0.381
local terms energy: -78.179607
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -24.068
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: 9
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -225.163680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.163680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.163680 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -63.054
Base-Backbone interact. energy: -0.796
local terms energy: -77.487719
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -21.237
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: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -225.311982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.311982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.311982 (E_RNA)
where:
Base-Base interactions energy: -155.198
where: short stacking energy: -74.360
Base-Backbone interact. energy: -0.028
local terms energy: -70.085880
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -19.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -219.038799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.038799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.038799 (E_RNA)
where:
Base-Base interactions energy: -137.254
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.098
local terms energy: -81.686949
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -221.765344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.765344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.765344 (E_RNA)
where:
Base-Base interactions energy: -144.040
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.213
local terms energy: -77.511777
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -14.636
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -201.166324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.166324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.166324 (E_RNA)
where:
Base-Base interactions energy: -135.216
where: short stacking energy: -63.809
Base-Backbone interact. energy: -0.061
local terms energy: -65.889273
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -205.147986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.147986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.147986 (E_RNA)
where:
Base-Base interactions energy: -130.117
where: short stacking energy: -60.109
Base-Backbone interact. energy: -0.049
local terms energy: -74.981424
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -106.398728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.398728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.398728 (E_RNA)
where:
Base-Base interactions energy: -51.659
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.186
local terms energy: -54.553804
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -89.082772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.082772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.082772 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -30.766
Base-Backbone interact. energy: -0.100
local terms energy: -58.216857
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -83.496345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.496345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.496345 (E_RNA)
where:
Base-Base interactions energy: -35.369
where: short stacking energy: -35.165
Base-Backbone interact. energy: -0.137
local terms energy: -47.990891
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -234.306642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.306642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.306642 (E_RNA)
where:
Base-Base interactions energy: -163.626
where: short stacking energy: -73.303
Base-Backbone interact. energy: -0.309
local terms energy: -70.371932
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -20.499
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: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -229.157587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.157587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.157587 (E_RNA)
where:
Base-Base interactions energy: -156.032
where: short stacking energy: -70.880
Base-Backbone interact. energy: -0.061
local terms energy: -73.064167
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -221.329972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.329972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.329972 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -66.889
Base-Backbone interact. energy: -0.085
local terms energy: -74.872539
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -227.448750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.448750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.448750 (E_RNA)
where:
Base-Base interactions energy: -149.065
where: short stacking energy: -66.142
Base-Backbone interact. energy: -0.003
local terms energy: -78.380675
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -217.337118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.337118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.337118 (E_RNA)
where:
Base-Base interactions energy: -151.357
where: short stacking energy: -69.686
Base-Backbone interact. energy: -0.353
local terms energy: -65.626771
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -206.900275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.900275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.900275 (E_RNA)
where:
Base-Base interactions energy: -133.171
where: short stacking energy: -58.970
Base-Backbone interact. energy: -0.102
local terms energy: -73.627199
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -15.689
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: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -220.239777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.239777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.239777 (E_RNA)
where:
Base-Base interactions energy: -139.460
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.847
local terms energy: -79.932176
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -105.537273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.537273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.537273 (E_RNA)
where:
Base-Base interactions energy: -53.389
where: short stacking energy: -27.438
Base-Backbone interact. energy: -0.166
local terms energy: -51.982402
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -82.619308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.619308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.619308 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -33.970
Base-Backbone interact. energy: -0.077
local terms energy: -44.999162
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -3.108
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -3.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -84.226157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.226157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.226157 (E_RNA)
where:
Base-Base interactions energy: -48.091
where: short stacking energy: -22.298
Base-Backbone interact. energy: -0.398
local terms energy: -35.737205
where:
bonds (distance) C4'-P energy: -7.570
bonds (distance) P-C4' energy: -9.825
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: 2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -225.861943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.861943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.861943 (E_RNA)
where:
Base-Base interactions energy: -150.519
where: short stacking energy: -73.875
Base-Backbone interact. energy: -0.069
local terms energy: -75.273858
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -231.996568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.996568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.996568 (E_RNA)
where:
Base-Base interactions energy: -147.891
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.000
local terms energy: -84.105151
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -225.289966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.289966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.289966 (E_RNA)
where:
Base-Base interactions energy: -151.985
where: short stacking energy: -69.143
Base-Backbone interact. energy: -1.068
local terms energy: -72.237227
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -230.888493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.888493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.888493 (E_RNA)
where:
Base-Base interactions energy: -151.838
where: short stacking energy: -72.165
Base-Backbone interact. energy: -0.002
local terms energy: -79.048663
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -222.902523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.902523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.902523 (E_RNA)
where:
Base-Base interactions energy: -144.972
where: short stacking energy: -73.359
Base-Backbone interact. energy: -0.118
local terms energy: -77.813229
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -209.434414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.434414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.434414 (E_RNA)
where:
Base-Base interactions energy: -141.972
where: short stacking energy: -68.963
Base-Backbone interact. energy: -0.017
local terms energy: -67.445028
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -7.778
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: 7, replica: 2
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -187.251081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.251081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.251081 (E_RNA)
where:
Base-Base interactions energy: -120.730
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.060
local terms energy: -66.461360
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -9.888
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: 8, replica: 7
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -95.699246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.699246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.699246 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -29.037
Base-Backbone interact. energy: -0.068
local terms energy: -57.962581
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -84.904480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.904480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.904480 (E_RNA)
where:
Base-Base interactions energy: -30.822
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.099
local terms energy: -53.983359
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -6.446
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: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -91.376377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.376377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.376377 (E_RNA)
where:
Base-Base interactions energy: -34.453
where: short stacking energy: -34.453
Base-Backbone interact. energy: 0.189
local terms energy: -57.111755
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -236.571373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.571373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.571373 (E_RNA)
where:
Base-Base interactions energy: -154.763
where: short stacking energy: -71.797
Base-Backbone interact. energy: -0.038
local terms energy: -81.770580
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -216.795545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.795545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.795545 (E_RNA)
where:
Base-Base interactions energy: -148.127
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.066
local terms energy: -68.602435
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -228.311651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.311651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.311651 (E_RNA)
where:
Base-Base interactions energy: -156.644
where: short stacking energy: -70.382
Base-Backbone interact. energy: -0.000
local terms energy: -71.666870
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -10.004
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: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -219.856103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.856103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.856103 (E_RNA)
where:
Base-Base interactions energy: -148.894
where: short stacking energy: -70.659
Base-Backbone interact. energy: -1.142
local terms energy: -69.820678
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -219.983386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.983386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.983386 (E_RNA)
where:
Base-Base interactions energy: -146.334
where: short stacking energy: -62.090
Base-Backbone interact. energy: -0.013
local terms energy: -73.636773
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -220.119282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.119282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.119282 (E_RNA)
where:
Base-Base interactions energy: -150.359
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.001
local terms energy: -69.760143
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -20.680
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: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -161.072767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.072767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.072767 (E_RNA)
where:
Base-Base interactions energy: -97.113
where: short stacking energy: -37.945
Base-Backbone interact. energy: -0.741
local terms energy: -63.218137
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -106.585286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.585286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.585286 (E_RNA)
where:
Base-Base interactions energy: -48.488
where: short stacking energy: -35.945
Base-Backbone interact. energy: -0.058
local terms energy: -58.038592
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -78.643544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.643544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.643544 (E_RNA)
where:
Base-Base interactions energy: -28.544
where: short stacking energy: -28.544
Base-Backbone interact. energy: -0.269
local terms energy: -49.830416
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -5.629
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: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -79.454185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454185 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -15.706
Base-Backbone interact. energy: 1.068
local terms energy: -49.969128
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: 0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -238.802140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.802140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.802140 (E_RNA)
where:
Base-Base interactions energy: -158.542
where: short stacking energy: -76.794
Base-Backbone interact. energy: -0.283
local terms energy: -79.977689
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -236.208725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.208725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.208725 (E_RNA)
where:
Base-Base interactions energy: -154.998
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.592
local terms energy: -80.619505
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -219.785580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.785580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.785580 (E_RNA)
where:
Base-Base interactions energy: -140.498
where: short stacking energy: -69.790
Base-Backbone interact. energy: -0.006
local terms energy: -79.281630
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -219.623754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.623754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.623754 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.431
local terms energy: -74.841190
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -216.806966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.806966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.806966 (E_RNA)
where:
Base-Base interactions energy: -138.672
where: short stacking energy: -72.923
Base-Backbone interact. energy: 0.645
local terms energy: -78.779390
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -205.945566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945566 (E_RNA)
where:
Base-Base interactions energy: -135.521
where: short stacking energy: -65.818
Base-Backbone interact. energy: -0.318
local terms energy: -70.107231
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -188.540146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.540146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.540146 (E_RNA)
where:
Base-Base interactions energy: -123.624
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.213
local terms energy: -64.703064
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -96.987313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.987313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.987313 (E_RNA)
where:
Base-Base interactions energy: -47.506
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.034
local terms energy: -49.446501
where:
bonds (distance) C4'-P energy: -7.450
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -88.688673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.688673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.688673 (E_RNA)
where:
Base-Base interactions energy: -44.249
where: short stacking energy: -28.100
Base-Backbone interact. energy: -0.177
local terms energy: -44.262033
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -4.764
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -75.225599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.225599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.225599 (E_RNA)
where:
Base-Base interactions energy: -29.930
where: short stacking energy: -20.080
Base-Backbone interact. energy: -0.139
local terms energy: -45.156123
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: 4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -238.417181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.417181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.417181 (E_RNA)
where:
Base-Base interactions energy: -157.753
where: short stacking energy: -78.932
Base-Backbone interact. energy: -0.044
local terms energy: -80.620315
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -22.185
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -226.783041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.783041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.783041 (E_RNA)
where:
Base-Base interactions energy: -146.107
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.641
local terms energy: -80.035053
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -224.178485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.178485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.178485 (E_RNA)
where:
Base-Base interactions energy: -150.034
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.151
local terms energy: -73.993805
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -223.312677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.312677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.312677 (E_RNA)
where:
Base-Base interactions energy: -145.446
where: short stacking energy: -63.790
Base-Backbone interact. energy: -0.110
local terms energy: -77.756139
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -213.925892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.925892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.925892 (E_RNA)
where:
Base-Base interactions energy: -140.075
where: short stacking energy: -62.202
Base-Backbone interact. energy: -0.082
local terms energy: -73.768223
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -207.733999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.733999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.733999 (E_RNA)
where:
Base-Base interactions energy: -137.435
where: short stacking energy: -70.122
Base-Backbone interact. energy: 0.822
local terms energy: -71.120671
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -204.323895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.323895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.323895 (E_RNA)
where:
Base-Base interactions energy: -136.652
where: short stacking energy: -62.534
Base-Backbone interact. energy: -0.096
local terms energy: -67.576042
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -87.600224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600224 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -35.662
Base-Backbone interact. energy: -0.075
local terms energy: -51.826082
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -104.410771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.410771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.410771 (E_RNA)
where:
Base-Base interactions energy: -47.844
where: short stacking energy: -31.627
Base-Backbone interact. energy: -0.621
local terms energy: -55.945494
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -82.160517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.160517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.160517 (E_RNA)
where:
Base-Base interactions energy: -36.428
where: short stacking energy: -31.485
Base-Backbone interact. energy: -0.070
local terms energy: -45.663224
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -2.383
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -239.483531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.483531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.483531 (E_RNA)
where:
Base-Base interactions energy: -155.828
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.014
local terms energy: -83.641995
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -227.667044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.667044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.667044 (E_RNA)
where:
Base-Base interactions energy: -154.888
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.002
local terms energy: -72.776384
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -19.883
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: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -218.626629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626629 (E_RNA)
where:
Base-Base interactions energy: -146.968
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.012
local terms energy: -71.645724
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -211.250015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.250015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.250015 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -67.598
Base-Backbone interact. energy: -0.000
local terms energy: -69.091761
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -10.653
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -18.956
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: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -215.431918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.431918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.431918 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.008
local terms energy: -66.055949
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -12.673
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: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -213.326867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.326867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.326867 (E_RNA)
where:
Base-Base interactions energy: -141.184
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.003
local terms energy: -72.139704
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -201.360979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.360979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.360979 (E_RNA)
where:
Base-Base interactions energy: -131.780
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.072
local terms energy: -69.509339
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -98.721506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.721506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.721506 (E_RNA)
where:
Base-Base interactions energy: -43.653
where: short stacking energy: -43.653
Base-Backbone interact. energy: -0.201
local terms energy: -54.868200
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -90.263009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.263009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.263009 (E_RNA)
where:
Base-Base interactions energy: -32.030
where: short stacking energy: -32.030
Base-Backbone interact. energy: -0.008
local terms energy: -58.224659
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -87.266111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.266111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.266111 (E_RNA)
where:
Base-Base interactions energy: -34.665
where: short stacking energy: -29.531
Base-Backbone interact. energy: 0.734
local terms energy: -53.335141
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -234.534783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.534783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.534783 (E_RNA)
where:
Base-Base interactions energy: -151.293
where: short stacking energy: -78.548
Base-Backbone interact. energy: -0.057
local terms energy: -83.184277
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -234.153815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.153815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.153815 (E_RNA)
where:
Base-Base interactions energy: -159.520
where: short stacking energy: -76.830
Base-Backbone interact. energy: -0.030
local terms energy: -74.603414
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -227.498810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.498810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.498810 (E_RNA)
where:
Base-Base interactions energy: -153.080
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.015
local terms energy: -74.403573
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -225.467257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.467257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.467257 (E_RNA)
where:
Base-Base interactions energy: -145.657
where: short stacking energy: -73.423
Base-Backbone interact. energy: -0.008
local terms energy: -79.802208
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -222.439969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.439969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.439969 (E_RNA)
where:
Base-Base interactions energy: -150.487
where: short stacking energy: -68.845
Base-Backbone interact. energy: -0.293
local terms energy: -71.659539
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -21.845
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: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -216.290650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.290650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.290650 (E_RNA)
where:
Base-Base interactions energy: -139.843
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.008
local terms energy: -76.439563
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -12.953
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: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -202.092666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.092666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.092666 (E_RNA)
where:
Base-Base interactions energy: -131.697
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.114
local terms energy: -70.282259
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -11.552
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: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -88.962001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.962001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.962001 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -36.511
Base-Backbone interact. energy: -0.227
local terms energy: -50.654290
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -84.842041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.842041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.842041 (E_RNA)
where:
Base-Base interactions energy: -41.751
where: short stacking energy: -41.751
Base-Backbone interact. energy: -0.264
local terms energy: -42.826444
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -6.442
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -84.754226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.754226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.754226 (E_RNA)
where:
Base-Base interactions energy: -39.684
where: short stacking energy: -32.812
Base-Backbone interact. energy: -0.129
local terms energy: -44.941362
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -0.350
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -225.918317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.918317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.918317 (E_RNA)
where:
Base-Base interactions energy: -143.809
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.031
local terms energy: -82.079031
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -231.584479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.584479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.584479 (E_RNA)
where:
Base-Base interactions energy: -148.290
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.019
local terms energy: -83.275362
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -229.525650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.525650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.525650 (E_RNA)
where:
Base-Base interactions energy: -150.079
where: short stacking energy: -68.696
Base-Backbone interact. energy: -0.024
local terms energy: -79.422188
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -221.886210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.886210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.886210 (E_RNA)
where:
Base-Base interactions energy: -146.564
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.002
local terms energy: -75.320416
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -20.933
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: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -218.633449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.633449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.633449 (E_RNA)
where:
Base-Base interactions energy: -148.861
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.091
local terms energy: -69.680897
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -218.386547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.386547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.386547 (E_RNA)
where:
Base-Base interactions energy: -146.523
where: short stacking energy: -65.756
Base-Backbone interact. energy: -0.021
local terms energy: -71.842822
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -181.311974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.311974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.311974 (E_RNA)
where:
Base-Base interactions energy: -115.736
where: short stacking energy: -50.129
Base-Backbone interact. energy: -0.438
local terms energy: -65.138397
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -87.629548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.629548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.629548 (E_RNA)
where:
Base-Base interactions energy: -32.395
where: short stacking energy: -32.175
Base-Backbone interact. energy: -0.756
local terms energy: -54.478749
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -79.966559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.966559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.966559 (E_RNA)
where:
Base-Base interactions energy: -26.055
where: short stacking energy: -22.232
Base-Backbone interact. energy: -0.014
local terms energy: -53.896974
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -81.554684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.554684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.554684 (E_RNA)
where:
Base-Base interactions energy: -32.346
where: short stacking energy: -24.178
Base-Backbone interact. energy: 0.614
local terms energy: -49.822735
where:
bonds (distance) C4'-P energy: -10.123
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -4.467
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: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -240.480068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.480068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.480068 (E_RNA)
where:
Base-Base interactions energy: -159.465
where: short stacking energy: -77.102
Base-Backbone interact. energy: -0.080
local terms energy: -80.934623
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -230.715725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.715725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.715725 (E_RNA)
where:
Base-Base interactions energy: -153.864
where: short stacking energy: -71.902
Base-Backbone interact. energy: -0.001
local terms energy: -76.850862
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -225.575287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.575287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.575287 (E_RNA)
where:
Base-Base interactions energy: -142.538
where: short stacking energy: -66.129
Base-Backbone interact. energy: -0.000
local terms energy: -83.037004
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -226.716469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.716469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.716469 (E_RNA)
where:
Base-Base interactions energy: -152.650
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.575
local terms energy: -73.491589
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -208.710588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.710588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.710588 (E_RNA)
where:
Base-Base interactions energy: -140.398
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.024
local terms energy: -68.288693
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -213.923043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.923043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.923043 (E_RNA)
where:
Base-Base interactions energy: -140.491
where: short stacking energy: -63.603
Base-Backbone interact. energy: 0.407
local terms energy: -73.838973
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -175.240756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.240756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.240756 (E_RNA)
where:
Base-Base interactions energy: -112.543
where: short stacking energy: -49.639
Base-Backbone interact. energy: -0.353
local terms energy: -62.345085
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -95.006090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.006090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.006090 (E_RNA)
where:
Base-Base interactions energy: -52.752
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.087
local terms energy: -42.167253
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -75.419194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.419194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.419194 (E_RNA)
where:
Base-Base interactions energy: -21.839
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.150
local terms energy: -53.429843
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -10.779
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: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -91.218806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.218806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.218806 (E_RNA)
where:
Base-Base interactions energy: -38.705
where: short stacking energy: -36.159
Base-Backbone interact. energy: -0.091
local terms energy: -52.422827
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -233.105256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.105256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.105256 (E_RNA)
where:
Base-Base interactions energy: -157.876
where: short stacking energy: -76.556
Base-Backbone interact. energy: -0.003
local terms energy: -75.226245
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -12.673
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: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -232.563601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.563601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.563601 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -75.548
Base-Backbone interact. energy: -0.009
local terms energy: -77.850024
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -229.812198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.812198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.812198 (E_RNA)
where:
Base-Base interactions energy: -153.028
where: short stacking energy: -68.879
Base-Backbone interact. energy: -0.101
local terms energy: -76.683423
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -227.074705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.074705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.074705 (E_RNA)
where:
Base-Base interactions energy: -150.359
where: short stacking energy: -68.708
Base-Backbone interact. energy: -0.709
local terms energy: -76.007174
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -212.685524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.685524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.685524 (E_RNA)
where:
Base-Base interactions energy: -146.463
where: short stacking energy: -64.073
Base-Backbone interact. energy: -0.020
local terms energy: -66.202286
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -9.295
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -217.197531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.197531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.197531 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.110
local terms energy: -74.721590
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.334
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: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -195.921161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.921161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.921161 (E_RNA)
where:
Base-Base interactions energy: -132.507
where: short stacking energy: -52.844
Base-Backbone interact. energy: -0.385
local terms energy: -63.029089
where:
bonds (distance) C4'-P energy: -8.516
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -86.947755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.947755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.947755 (E_RNA)
where:
Base-Base interactions energy: -26.846
where: short stacking energy: -26.846
Base-Backbone interact. energy: -0.291
local terms energy: -59.811045
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -100.248450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.248450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.248450 (E_RNA)
where:
Base-Base interactions energy: -40.466
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.188
local terms energy: -59.594136
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -75.278331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.278331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.278331 (E_RNA)
where:
Base-Base interactions energy: -32.172
where: short stacking energy: -32.172
Base-Backbone interact. energy: -0.632
local terms energy: -42.475104
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -5.055
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: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -235.664693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.664693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.664693 (E_RNA)
where:
Base-Base interactions energy: -156.343
where: short stacking energy: -76.397
Base-Backbone interact. energy: -0.285
local terms energy: -79.036617
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -229.194269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.194269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.194269 (E_RNA)
where:
Base-Base interactions energy: -148.633
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.727
local terms energy: -79.834610
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -20.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -228.266397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.266397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.266397 (E_RNA)
where:
Base-Base interactions energy: -150.947
where: short stacking energy: -68.272
Base-Backbone interact. energy: -0.101
local terms energy: -77.218620
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -218.992147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.992147 (E_RNA)
where:
Base-Base interactions energy: -145.040
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.001
local terms energy: -73.951726
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -217.554580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.554580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.554580 (E_RNA)
where:
Base-Base interactions energy: -148.205
where: short stacking energy: -73.472
Base-Backbone interact. energy: -1.392
local terms energy: -67.957517
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -222.328427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.328427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.328427 (E_RNA)
where:
Base-Base interactions energy: -152.576
where: short stacking energy: -71.708
Base-Backbone interact. energy: -0.470
local terms energy: -69.282310
where:
bonds (distance) C4'-P energy: -8.186
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -94.818860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.818860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.818860 (E_RNA)
where:
Base-Base interactions energy: -43.564
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.124
local terms energy: -51.130882
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -181.063869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.063869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.063869 (E_RNA)
where:
Base-Base interactions energy: -124.570
where: short stacking energy: -47.033
Base-Backbone interact. energy: 0.985
local terms energy: -57.478427
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -12.481
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: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -86.921974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.921974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.921974 (E_RNA)
where:
Base-Base interactions energy: -38.308
where: short stacking energy: -34.031
Base-Backbone interact. energy: -0.055
local terms energy: -48.558752
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -2.911
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -90.988722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.988722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.988722 (E_RNA)
where:
Base-Base interactions energy: -47.296
where: short stacking energy: -19.508
Base-Backbone interact. energy: -0.553
local terms energy: -43.139435
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -3.690
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -2.271
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: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -231.781511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.781511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.781511 (E_RNA)
where:
Base-Base interactions energy: -153.158
where: short stacking energy: -73.217
Base-Backbone interact. energy: -0.746
local terms energy: -77.877283
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -230.667373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.667373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.667373 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.587
local terms energy: -79.787640
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -22.837
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: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -226.513089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.513089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.513089 (E_RNA)
where:
Base-Base interactions energy: -156.104
where: short stacking energy: -72.543
Base-Backbone interact. energy: -0.489
local terms energy: -69.920441
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -221.101896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101896 (E_RNA)
where:
Base-Base interactions energy: -141.359
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.159
local terms energy: -79.584037
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -13.371
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: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -214.347154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.347154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.347154 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.061
local terms energy: -72.778541
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -204.577403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577403 (E_RNA)
where:
Base-Base interactions energy: -134.426
where: short stacking energy: -60.274
Base-Backbone interact. energy: -0.265
local terms energy: -69.886045
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -10.191
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: 7, replica: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -93.478961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.478961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.478961 (E_RNA)
where:
Base-Base interactions energy: -48.675
where: short stacking energy: -34.699
Base-Backbone interact. energy: -1.361
local terms energy: -43.443870
where:
bonds (distance) C4'-P energy: -4.948
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -5.128
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: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -140.789717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.789717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.789717 (E_RNA)
where:
Base-Base interactions energy: -84.610
where: short stacking energy: -41.495
Base-Backbone interact. energy: -0.253
local terms energy: -55.926994
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -73.193120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.193120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.193120 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -19.175
Base-Backbone interact. energy: -0.220
local terms energy: -37.301327
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: 7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -82.666448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.666448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.666448 (E_RNA)
where:
Base-Base interactions energy: -32.300
where: short stacking energy: -17.131
Base-Backbone interact. energy: 1.485
local terms energy: -51.851992
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -233.834118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.834118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.834118 (E_RNA)
where:
Base-Base interactions energy: -151.494
where: short stacking energy: -72.764
Base-Backbone interact. energy: -0.293
local terms energy: -82.047979
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -230.073276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.073276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.073276 (E_RNA)
where:
Base-Base interactions energy: -147.527
where: short stacking energy: -71.027
Base-Backbone interact. energy: -0.007
local terms energy: -82.539386
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -225.852632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.852632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.852632 (E_RNA)
where:
Base-Base interactions energy: -153.168
where: short stacking energy: -65.477
Base-Backbone interact. energy: -0.295
local terms energy: -72.388990
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -20.520
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: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -222.684704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.684704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.684704 (E_RNA)
where:
Base-Base interactions energy: -147.088
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.101
local terms energy: -75.495319
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -224.034590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.034590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.034590 (E_RNA)
where:
Base-Base interactions energy: -142.354
where: short stacking energy: -71.416
Base-Backbone interact. energy: -0.027
local terms energy: -81.653848
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -187.480283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.480283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.480283 (E_RNA)
where:
Base-Base interactions energy: -124.358
where: short stacking energy: -54.103
Base-Backbone interact. energy: -0.027
local terms energy: -63.094650
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -16.087
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: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -169.834128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.834128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.834128 (E_RNA)
where:
Base-Base interactions energy: -103.179
where: short stacking energy: -50.037
Base-Backbone interact. energy: 0.171
local terms energy: -66.826611
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -93.207220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.207220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.207220 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -36.541
Base-Backbone interact. energy: -0.130
local terms energy: -56.536060
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -7.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -83.685650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.685650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.685650 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -28.013
Base-Backbone interact. energy: -0.039
local terms energy: -43.976894
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -0.525
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -81.347143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.347143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.347143 (E_RNA)
where:
Base-Base interactions energy: -36.990
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.505
local terms energy: -43.851523
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -234.391776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.391776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.391776 (E_RNA)
where:
Base-Base interactions energy: -157.872
where: short stacking energy: -77.640
Base-Backbone interact. energy: -0.000
local terms energy: -76.519999
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -19.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -232.126444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.126444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.126444 (E_RNA)
where:
Base-Base interactions energy: -148.652
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.004
local terms energy: -83.470667
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -224.421247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.421247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.421247 (E_RNA)
where:
Base-Base interactions energy: -150.517
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.224
local terms energy: -73.679411
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -224.548549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.548549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.548549 (E_RNA)
where:
Base-Base interactions energy: -150.859
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.008
local terms energy: -73.681802
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -209.426469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.426469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.426469 (E_RNA)
where:
Base-Base interactions energy: -138.976
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.004
local terms energy: -70.446292
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -172.975591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.975591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.975591 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -49.602
Base-Backbone interact. energy: -0.291
local terms energy: -65.625846
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -125.982354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.982354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.982354 (E_RNA)
where:
Base-Base interactions energy: -71.939
where: short stacking energy: -31.067
Base-Backbone interact. energy: -0.254
local terms energy: -53.788993
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -6.823
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: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -89.533288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.533288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.533288 (E_RNA)
where:
Base-Base interactions energy: -38.352
where: short stacking energy: -38.352
Base-Backbone interact. energy: -0.142
local terms energy: -51.039324
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -87.966473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966473 (E_RNA)
where:
Base-Base interactions energy: -45.029
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.012
local terms energy: -42.925749
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -1.975
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -82.321688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.321688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.321688 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -23.498
Base-Backbone interact. energy: -0.227
local terms energy: -53.158552
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -2.843
tors. eta vs tors. theta energy: -6.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -232.078218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.078218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078218 (E_RNA)
where:
Base-Base interactions energy: -152.551
where: short stacking energy: -66.270
Base-Backbone interact. energy: 0.227
local terms energy: -79.754212
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -232.648423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.648423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.648423 (E_RNA)
where:
Base-Base interactions energy: -158.450
where: short stacking energy: -73.752
Base-Backbone interact. energy: -0.100
local terms energy: -74.099077
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -227.227894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.227894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.227894 (E_RNA)
where:
Base-Base interactions energy: -149.103
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.020
local terms energy: -78.105258
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -22.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -228.607365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.607365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.607365 (E_RNA)
where:
Base-Base interactions energy: -150.950
where: short stacking energy: -73.033
Base-Backbone interact. energy: -0.054
local terms energy: -77.603668
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -23.254
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: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -208.832983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.832983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.832983 (E_RNA)
where:
Base-Base interactions energy: -138.230
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.001
local terms energy: -70.602171
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -204.736148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.736148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.736148 (E_RNA)
where:
Base-Base interactions energy: -137.025
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.015
local terms energy: -67.696181
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -11.097
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -99.508179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.508179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.508179 (E_RNA)
where:
Base-Base interactions energy: -45.876
where: short stacking energy: -34.738
Base-Backbone interact. energy: -0.050
local terms energy: -53.582196
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -5.656
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: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -86.537068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.537068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.537068 (E_RNA)
where:
Base-Base interactions energy: -34.343
where: short stacking energy: -34.459
Base-Backbone interact. energy: -0.131
local terms energy: -52.063002
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -7.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -81.083935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.083935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.083935 (E_RNA)
where:
Base-Base interactions energy: -31.020
where: short stacking energy: -25.287
Base-Backbone interact. energy: 0.565
local terms energy: -50.629552
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -5.651
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: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -105.615027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.615027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.615027 (E_RNA)
where:
Base-Base interactions energy: -60.851
where: short stacking energy: -36.672
Base-Backbone interact. energy: -0.748
local terms energy: -44.015969
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -1.305
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: 359
Temperature: 0.900000
Total energy: -237.845922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.845922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.845922 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.003
local terms energy: -78.912236
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -230.386416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.386416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.386416 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -70.873
Base-Backbone interact. energy: -0.002
local terms energy: -72.469246
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -20.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -226.788551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.788551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.788551 (E_RNA)
where:
Base-Base interactions energy: -155.472
where: short stacking energy: -74.445
Base-Backbone interact. energy: -0.045
local terms energy: -71.271446
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -223.051040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.051040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.051040 (E_RNA)
where:
Base-Base interactions energy: -146.583
where: short stacking energy: -66.567
Base-Backbone interact. energy: -0.000
local terms energy: -76.468105
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -216.711456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.711456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.711456 (E_RNA)
where:
Base-Base interactions energy: -140.842
where: short stacking energy: -71.005
Base-Backbone interact. energy: -0.016
local terms energy: -75.852886
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -217.720468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.720468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.720468 (E_RNA)
where:
Base-Base interactions energy: -139.945
where: short stacking energy: -69.705
Base-Backbone interact. energy: -0.075
local terms energy: -77.700553
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -102.102910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.102910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.102910 (E_RNA)
where:
Base-Base interactions energy: -42.875
where: short stacking energy: -37.062
Base-Backbone interact. energy: -0.083
local terms energy: -59.145612
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -7.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -81.708989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.708989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.708989 (E_RNA)
where:
Base-Base interactions energy: -29.995
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.174
local terms energy: -51.540332
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -83.170510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.170510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.170510 (E_RNA)
where:
Base-Base interactions energy: -31.336
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.176
local terms energy: -51.658515
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -2.566
tors. eta vs tors. theta energy: -7.635
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: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -97.456489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.456489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.456489 (E_RNA)
where:
Base-Base interactions energy: -48.365
where: short stacking energy: -22.229
Base-Backbone interact. energy: 0.457
local terms energy: -49.547812
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -237.306290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.306290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.306290 (E_RNA)
where:
Base-Base interactions energy: -158.102
where: short stacking energy: -73.951
Base-Backbone interact. energy: -0.551
local terms energy: -78.653524
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -9.369
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: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -241.939923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.939923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.939923 (E_RNA)
where:
Base-Base interactions energy: -160.365
where: short stacking energy: -73.988
Base-Backbone interact. energy: -0.558
local terms energy: -81.016754
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -223.211235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.211235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.211235 (E_RNA)
where:
Base-Base interactions energy: -147.094
where: short stacking energy: -73.149
Base-Backbone interact. energy: -0.722
local terms energy: -75.395113
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -11.486
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: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -220.266566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.266566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.266566 (E_RNA)
where:
Base-Base interactions energy: -142.854
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.231
local terms energy: -77.181033
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -19.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -221.727482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.727482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.727482 (E_RNA)
where:
Base-Base interactions energy: -145.165
where: short stacking energy: -69.471
Base-Backbone interact. energy: -0.004
local terms energy: -76.557648
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -219.086514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.086514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.086514 (E_RNA)
where:
Base-Base interactions energy: -140.819
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.103
local terms energy: -78.164636
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -103.060990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.060990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.060990 (E_RNA)
where:
Base-Base interactions energy: -43.937
where: short stacking energy: -40.028
Base-Backbone interact. energy: -0.021
local terms energy: -59.102371
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -93.620009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620009 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.118
local terms energy: -56.021280
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -88.557742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.557742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.557742 (E_RNA)
where:
Base-Base interactions energy: -47.163
where: short stacking energy: -29.153
Base-Backbone interact. energy: 0.550
local terms energy: -41.944583
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -8.655
flat angles P-C4'-P energy: -7.227
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: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -75.690574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.690574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.690574 (E_RNA)
where:
Base-Base interactions energy: -36.921
where: short stacking energy: -29.058
Base-Backbone interact. energy: 0.279
local terms energy: -39.048271
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -235.290820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.290820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.290820 (E_RNA)
where:
Base-Base interactions energy: -157.692
where: short stacking energy: -73.378
Base-Backbone interact. energy: -0.000
local terms energy: -77.598235
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -231.031287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.031287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.031287 (E_RNA)
where:
Base-Base interactions energy: -153.770
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.195
local terms energy: -77.066225
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -19.669
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: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -229.222851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.222851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.222851 (E_RNA)
where:
Base-Base interactions energy: -155.303
where: short stacking energy: -68.998
Base-Backbone interact. energy: 0.073
local terms energy: -73.992668
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -229.326997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.326997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.326997 (E_RNA)
where:
Base-Base interactions energy: -148.593
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.007
local terms energy: -80.727747
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -219.626414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.626414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.626414 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -64.899
Base-Backbone interact. energy: 0.163
local terms energy: -76.214228
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -19.548
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: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -213.183238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.183238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.183238 (E_RNA)
where:
Base-Base interactions energy: -137.950
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.842
local terms energy: -74.390361
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -92.286781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.286781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.286781 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -29.802
Base-Backbone interact. energy: -0.145
local terms energy: -62.084501
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -4.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -82.716196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.716196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.716196 (E_RNA)
where:
Base-Base interactions energy: -26.450
where: short stacking energy: -27.950
Base-Backbone interact. energy: -0.218
local terms energy: -56.048463
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -5.596
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: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -103.405410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.405410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.405410 (E_RNA)
where:
Base-Base interactions energy: -52.109
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.022
local terms energy: -51.273682
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -92.319285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.319285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.319285 (E_RNA)
where:
Base-Base interactions energy: -42.184
where: short stacking energy: -29.655
Base-Backbone interact. energy: -0.091
local terms energy: -50.044509
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -5.024
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: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -245.791259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.791259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.791259 (E_RNA)
where:
Base-Base interactions energy: -159.768
where: short stacking energy: -72.940
Base-Backbone interact. energy: -0.157
local terms energy: -85.865826
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -231.898845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.898845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.898845 (E_RNA)
where:
Base-Base interactions energy: -153.902
where: short stacking energy: -79.648
Base-Backbone interact. energy: -0.086
local terms energy: -77.911075
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -224.714412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.714412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.714412 (E_RNA)
where:
Base-Base interactions energy: -156.943
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.002
local terms energy: -67.769471
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -18.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -219.611953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.611953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.611953 (E_RNA)
where:
Base-Base interactions energy: -147.306
where: short stacking energy: -67.945
Base-Backbone interact. energy: -0.332
local terms energy: -71.973906
where:
bonds (distance) C4'-P energy: -8.356
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -212.072207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.072207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.072207 (E_RNA)
where:
Base-Base interactions energy: -144.561
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.004
local terms energy: -67.507795
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -10.666
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: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -178.508129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.508129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.508129 (E_RNA)
where:
Base-Base interactions energy: -122.088
where: short stacking energy: -53.417
Base-Backbone interact. energy: -0.321
local terms energy: -56.098984
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -102.915798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.915798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.915798 (E_RNA)
where:
Base-Base interactions energy: -42.621
where: short stacking energy: -29.368
Base-Backbone interact. energy: -0.398
local terms energy: -59.896870
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.506
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: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -92.677744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.677744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.677744 (E_RNA)
where:
Base-Base interactions energy: -43.748
where: short stacking energy: -16.074
Base-Backbone interact. energy: -0.506
local terms energy: -48.424030
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -4.331
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -91.913547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913547 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.120
local terms energy: -50.802186
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -88.634030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.634030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.634030 (E_RNA)
where:
Base-Base interactions energy: -54.983
where: short stacking energy: -26.129
Base-Backbone interact. energy: -0.542
local terms energy: -33.108553
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -8.833
flat angles C4'-P-C4' energy: -6.840
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: 2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -231.330923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.330923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.330923 (E_RNA)
where:
Base-Base interactions energy: -151.617
where: short stacking energy: -69.408
Base-Backbone interact. energy: -0.001
local terms energy: -79.713352
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -236.466950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.466950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.466950 (E_RNA)
where:
Base-Base interactions energy: -152.005
where: short stacking energy: -74.181
Base-Backbone interact. energy: -0.021
local terms energy: -84.440424
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -229.225875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.225875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.225875 (E_RNA)
where:
Base-Base interactions energy: -143.769
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.023
local terms energy: -85.434074
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.730
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: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -189.782631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.782631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.782631 (E_RNA)
where:
Base-Base interactions energy: -115.619
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.130
local terms energy: -74.034237
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -9.139
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -216.842080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842080 (E_RNA)
where:
Base-Base interactions energy: -138.271
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.157
local terms energy: -78.414397
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -174.819357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819357 (E_RNA)
where:
Base-Base interactions energy: -106.679
where: short stacking energy: -50.168
Base-Backbone interact. energy: -0.109
local terms energy: -68.031787
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -10.522
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: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -113.313267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.313267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.313267 (E_RNA)
where:
Base-Base interactions energy: -61.532
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.693
local terms energy: -51.087992
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -2.699
tors. eta vs tors. theta energy: -7.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -93.561666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.561666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.561666 (E_RNA)
where:
Base-Base interactions energy: -40.957
where: short stacking energy: -40.957
Base-Backbone interact. energy: -0.159
local terms energy: -52.445284
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -1.837
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: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -87.466863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.466863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.466863 (E_RNA)
where:
Base-Base interactions energy: -34.096
where: short stacking energy: -34.096
Base-Backbone interact. energy: -0.146
local terms energy: -53.224984
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -4.239
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: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -67.952949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.952949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.952949 (E_RNA)
where:
Base-Base interactions energy: -23.542
where: short stacking energy: -22.282
Base-Backbone interact. energy: 1.177
local terms energy: -45.587960
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -236.614097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.614097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.614097 (E_RNA)
where:
Base-Base interactions energy: -146.770
where: short stacking energy: -75.925
Base-Backbone interact. energy: -0.040
local terms energy: -89.803959
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -23.161
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -234.142843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.142843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.142843 (E_RNA)
where:
Base-Base interactions energy: -154.106
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.086
local terms energy: -79.950869
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -229.428822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.428822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.428822 (E_RNA)
where:
Base-Base interactions energy: -150.364
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.681
local terms energy: -78.384327
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -14.043
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: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -215.080662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.080662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.080662 (E_RNA)
where:
Base-Base interactions energy: -139.054
where: short stacking energy: -67.835
Base-Backbone interact. energy: -0.304
local terms energy: -75.723057
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -213.354517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.354517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.354517 (E_RNA)
where:
Base-Base interactions energy: -140.227
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.179
local terms energy: -72.948251
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -179.060268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.060268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.060268 (E_RNA)
where:
Base-Base interactions energy: -109.696
where: short stacking energy: -50.202
Base-Backbone interact. energy: -0.282
local terms energy: -69.081379
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -6.352
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: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -117.561995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.561995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.561995 (E_RNA)
where:
Base-Base interactions energy: -70.094
where: short stacking energy: -32.497
Base-Backbone interact. energy: -0.843
local terms energy: -46.625048
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -88.788002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.788002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.788002 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -30.233
Base-Backbone interact. energy: -1.142
local terms energy: -57.087900
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -81.721441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721441 (E_RNA)
where:
Base-Base interactions energy: -36.136
where: short stacking energy: -31.132
Base-Backbone interact. energy: 0.694
local terms energy: -46.279350
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -5.421
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -9.309
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: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -93.857808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.857808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.857808 (E_RNA)
where:
Base-Base interactions energy: -36.311
where: short stacking energy: -36.234
Base-Backbone interact. energy: 0.504
local terms energy: -58.050456
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -8.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -239.589599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.589599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.589599 (E_RNA)
where:
Base-Base interactions energy: -157.593
where: short stacking energy: -76.519
Base-Backbone interact. energy: -0.015
local terms energy: -81.982260
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -233.629265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.629265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.629265 (E_RNA)
where:
Base-Base interactions energy: -156.227
where: short stacking energy: -67.755
Base-Backbone interact. energy: -0.416
local terms energy: -76.986347
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -22.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -227.095238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.095238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.095238 (E_RNA)
where:
Base-Base interactions energy: -150.503
where: short stacking energy: -70.110
Base-Backbone interact. energy: -0.296
local terms energy: -76.296000
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -229.693988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.693988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.693988 (E_RNA)
where:
Base-Base interactions energy: -154.148
where: short stacking energy: -76.740
Base-Backbone interact. energy: 0.110
local terms energy: -75.655437
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -20.651
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: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -212.516425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.516425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.516425 (E_RNA)
where:
Base-Base interactions energy: -143.965
where: short stacking energy: -65.253
Base-Backbone interact. energy: -0.634
local terms energy: -67.917548
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -205.465463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.465463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.465463 (E_RNA)
where:
Base-Base interactions energy: -133.201
where: short stacking energy: -63.025
Base-Backbone interact. energy: -0.336
local terms energy: -71.928215
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -7.986
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.714
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: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -124.866701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.866701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.866701 (E_RNA)
where:
Base-Base interactions energy: -69.064
where: short stacking energy: -35.955
Base-Backbone interact. energy: -0.127
local terms energy: -55.675289
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -94.522986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.522986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.522986 (E_RNA)
where:
Base-Base interactions energy: -40.898
where: short stacking energy: -39.020
Base-Backbone interact. energy: -0.060
local terms energy: -53.564740
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -8.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -86.474264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.474264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.474264 (E_RNA)
where:
Base-Base interactions energy: -32.707
where: short stacking energy: -32.707
Base-Backbone interact. energy: -0.371
local terms energy: -53.396862
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -86.451763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.451763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.451763 (E_RNA)
where:
Base-Base interactions energy: -29.088
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.214
local terms energy: -57.150158
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.562
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: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -238.238806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.238806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.238806 (E_RNA)
where:
Base-Base interactions energy: -159.097
where: short stacking energy: -72.753
Base-Backbone interact. energy: -0.026
local terms energy: -79.115865
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -235.177869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.177869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.177869 (E_RNA)
where:
Base-Base interactions energy: -154.894
where: short stacking energy: -74.220
Base-Backbone interact. energy: -0.283
local terms energy: -80.000430
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -229.275303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.275303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.275303 (E_RNA)
where:
Base-Base interactions energy: -156.257
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.046
local terms energy: -72.972330
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -225.733202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.733202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.733202 (E_RNA)
where:
Base-Base interactions energy: -152.724
where: short stacking energy: -69.647
Base-Backbone interact. energy: -0.004
local terms energy: -73.005451
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -221.758105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.758105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.758105 (E_RNA)
where:
Base-Base interactions energy: -150.307
where: short stacking energy: -70.502
Base-Backbone interact. energy: -0.035
local terms energy: -71.416099
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -20.817
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: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -205.063666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.063666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.063666 (E_RNA)
where:
Base-Base interactions energy: -134.559
where: short stacking energy: -61.765
Base-Backbone interact. energy: -0.007
local terms energy: -70.497545
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -16.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -120.092581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.092581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.092581 (E_RNA)
where:
Base-Base interactions energy: -65.076
where: short stacking energy: -39.667
Base-Backbone interact. energy: -0.090
local terms energy: -54.926543
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -9.488
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -92.052454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.052454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.052454 (E_RNA)
where:
Base-Base interactions energy: -34.276
where: short stacking energy: -31.918
Base-Backbone interact. energy: 0.595
local terms energy: -58.371539
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.240
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: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -84.554312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.554312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.554312 (E_RNA)
where:
Base-Base interactions energy: -43.979
where: short stacking energy: -37.185
Base-Backbone interact. energy: 4.442
local terms energy: -45.017486
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -80.545437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.545437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.545437 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -26.525
Base-Backbone interact. energy: -0.010
local terms energy: -48.970427
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -6.827
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: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -231.882238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.882238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.882238 (E_RNA)
where:
Base-Base interactions energy: -153.251
where: short stacking energy: -68.051
Base-Backbone interact. energy: -0.276
local terms energy: -78.354732
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -10.937
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: 2, replica: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -226.162567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.162567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.162567 (E_RNA)
where:
Base-Base interactions energy: -150.767
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.764
local terms energy: -74.631125
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -231.931369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.931369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.931369 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -74.089
Base-Backbone interact. energy: -0.005
local terms energy: -78.309450
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -22.981
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: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -225.616417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.616417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.616417 (E_RNA)
where:
Base-Base interactions energy: -150.320
where: short stacking energy: -70.968
Base-Backbone interact. energy: -0.001
local terms energy: -75.294773
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -220.149520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.149520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.149520 (E_RNA)
where:
Base-Base interactions energy: -147.666
where: short stacking energy: -68.644
Base-Backbone interact. energy: -0.291
local terms energy: -72.192942
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -208.088366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.088366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.088366 (E_RNA)
where:
Base-Base interactions energy: -135.306
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.743
local terms energy: -72.038437
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -92.680099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.680099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.680099 (E_RNA)
where:
Base-Base interactions energy: -40.144
where: short stacking energy: -29.825
Base-Backbone interact. energy: -0.887
local terms energy: -51.649986
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -93.303437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.303437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.303437 (E_RNA)
where:
Base-Base interactions energy: -46.683
where: short stacking energy: -32.689
Base-Backbone interact. energy: -0.488
local terms energy: -46.132522
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -4.324
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: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -73.570992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.570992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.570992 (E_RNA)
where:
Base-Base interactions energy: -27.824
where: short stacking energy: -20.095
Base-Backbone interact. energy: -0.138
local terms energy: -45.608556
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -0.437
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: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -75.440101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.440101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.440101 (E_RNA)
where:
Base-Base interactions energy: -25.805
where: short stacking energy: -25.805
Base-Backbone interact. energy: -0.363
local terms energy: -49.271682
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -3.435
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -238.450915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.450915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.450915 (E_RNA)
where:
Base-Base interactions energy: -160.021
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.047
local terms energy: -78.382933
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -231.651929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.651929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.651929 (E_RNA)
where:
Base-Base interactions energy: -155.330
where: short stacking energy: -71.992
Base-Backbone interact. energy: -0.028
local terms energy: -76.293477
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -20.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -221.048847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.048847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.048847 (E_RNA)
where:
Base-Base interactions energy: -143.190
where: short stacking energy: -68.065
Base-Backbone interact. energy: -0.013
local terms energy: -77.846272
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -216.726396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.726396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.726396 (E_RNA)
where:
Base-Base interactions energy: -147.194
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.252
local terms energy: -69.280226
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -20.374
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: 368
Temperature: 1.100000
Total energy: -219.731959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.731959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.731959 (E_RNA)
where:
Base-Base interactions energy: -148.306
where: short stacking energy: -65.408
Base-Backbone interact. energy: -0.025
local terms energy: -71.400577
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -20.908
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: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -209.604474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.604474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.604474 (E_RNA)
where:
Base-Base interactions energy: -148.448
where: short stacking energy: -71.564
Base-Backbone interact. energy: 0.186
local terms energy: -61.343265
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -92.144181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.144181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.144181 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -25.789
Base-Backbone interact. energy: -0.970
local terms energy: -58.119639
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -11.174
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: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -86.338760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.338760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.338760 (E_RNA)
where:
Base-Base interactions energy: -37.649
where: short stacking energy: -24.764
Base-Backbone interact. energy: -0.377
local terms energy: -48.312127
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -85.442126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.442126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.442126 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -35.404
Base-Backbone interact. energy: 0.012
local terms energy: -50.049930
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -78.872553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.872553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.872553 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -26.795
Base-Backbone interact. energy: -0.133
local terms energy: -37.964913
where:
bonds (distance) C4'-P energy: -5.521
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -0.317
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: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -238.424248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.424248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.424248 (E_RNA)
where:
Base-Base interactions energy: -160.751
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.580
local terms energy: -77.093596
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -22.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -236.789936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.789936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.789936 (E_RNA)
where:
Base-Base interactions energy: -155.725
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.575
local terms energy: -80.490702
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -228.018673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.018673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.018673 (E_RNA)
where:
Base-Base interactions energy: -153.845
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.076
local terms energy: -74.097191
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -9.981
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -209.499157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.499157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.499157 (E_RNA)
where:
Base-Base interactions energy: -134.215
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.171
local terms energy: -75.112514
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -219.961912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.961912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.961912 (E_RNA)
where:
Base-Base interactions energy: -149.703
where: short stacking energy: -67.198
Base-Backbone interact. energy: -0.035
local terms energy: -70.223778
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -204.712426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.712426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.712426 (E_RNA)
where:
Base-Base interactions energy: -132.467
where: short stacking energy: -62.889
Base-Backbone interact. energy: -1.653
local terms energy: -70.592433
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -116.892545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.892545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.892545 (E_RNA)
where:
Base-Base interactions energy: -70.757
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.231
local terms energy: -45.904711
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -1.907
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -86.817713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.817713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.817713 (E_RNA)
where:
Base-Base interactions energy: -41.087
where: short stacking energy: -23.024
Base-Backbone interact. energy: -0.318
local terms energy: -45.411808
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: 0.881
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: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -78.740312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.740312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.740312 (E_RNA)
where:
Base-Base interactions energy: -26.598
where: short stacking energy: -15.969
Base-Backbone interact. energy: -0.126
local terms energy: -52.015952
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -81.709242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709242 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -24.781
Base-Backbone interact. energy: -0.005
local terms energy: -46.049687
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -6.788
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -7.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -239.134021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.134021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.134021 (E_RNA)
where:
Base-Base interactions energy: -161.593
where: short stacking energy: -73.335
Base-Backbone interact. energy: -0.004
local terms energy: -77.537162
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -236.413264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.413264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.413264 (E_RNA)
where:
Base-Base interactions energy: -155.447
where: short stacking energy: -73.035
Base-Backbone interact. energy: -0.289
local terms energy: -80.676914
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -20.823
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: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -224.767165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.767165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.767165 (E_RNA)
where:
Base-Base interactions energy: -146.869
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.123
local terms energy: -77.774918
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -225.509425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.509425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.509425 (E_RNA)
where:
Base-Base interactions energy: -145.437
where: short stacking energy: -64.487
Base-Backbone interact. energy: -0.786
local terms energy: -79.285904
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -211.921415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.921415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.921415 (E_RNA)
where:
Base-Base interactions energy: -141.025
where: short stacking energy: -56.749
Base-Backbone interact. energy: -1.109
local terms energy: -69.786858
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -215.517850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.517850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.517850 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -62.269
Base-Backbone interact. energy: -0.234
local terms energy: -76.304014
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -21.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -98.782738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.782738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.782738 (E_RNA)
where:
Base-Base interactions energy: -39.899
where: short stacking energy: -29.861
Base-Backbone interact. energy: -0.662
local terms energy: -58.221350
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -8.489
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: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -120.251697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.251697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.251697 (E_RNA)
where:
Base-Base interactions energy: -73.237
where: short stacking energy: -36.348
Base-Backbone interact. energy: -0.079
local terms energy: -46.934910
where:
bonds (distance) C4'-P energy: -3.727
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -99.539224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.539224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.539224 (E_RNA)
where:
Base-Base interactions energy: -39.680
where: short stacking energy: -31.560
Base-Backbone interact. energy: -0.458
local terms energy: -59.401219
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -88.042093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.042093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.042093 (E_RNA)
where:
Base-Base interactions energy: -37.881
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.115
local terms energy: -50.045815
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -3.036
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: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -231.861286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.861286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.861286 (E_RNA)
where:
Base-Base interactions energy: -152.197
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.217
local terms energy: -79.446963
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -228.656463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.656463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.656463 (E_RNA)
where:
Base-Base interactions energy: -149.988
where: short stacking energy: -70.770
Base-Backbone interact. energy: -0.596
local terms energy: -78.072776
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -226.921524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.921524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.921524 (E_RNA)
where:
Base-Base interactions energy: -150.180
where: short stacking energy: -63.739
Base-Backbone interact. energy: -0.087
local terms energy: -76.654814
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -220.768772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.768772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.768772 (E_RNA)
where:
Base-Base interactions energy: -146.626
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.002
local terms energy: -74.140005
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -217.380136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.380136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380136 (E_RNA)
where:
Base-Base interactions energy: -139.038
where: short stacking energy: -57.774
Base-Backbone interact. energy: -0.009
local terms energy: -78.333207
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -210.685983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.685983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.685983 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.111
local terms energy: -74.328060
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.800
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: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -88.274813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.274813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.274813 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -23.670
Base-Backbone interact. energy: -0.147
local terms energy: -53.308723
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -100.939627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.939627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.939627 (E_RNA)
where:
Base-Base interactions energy: -55.906
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.109
local terms energy: -44.923803
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -92.206313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.206313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.206313 (E_RNA)
where:
Base-Base interactions energy: -44.691
where: short stacking energy: -26.419
Base-Backbone interact. energy: -0.005
local terms energy: -47.510561
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -8.163
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: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -90.190674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190674 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -34.453
Base-Backbone interact. energy: -0.536
local terms energy: -53.316208
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -237.518876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.518876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.518876 (E_RNA)
where:
Base-Base interactions energy: -159.566
where: short stacking energy: -76.380
Base-Backbone interact. energy: -0.328
local terms energy: -77.625145
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -223.956825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.956825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.956825 (E_RNA)
where:
Base-Base interactions energy: -146.316
where: short stacking energy: -68.660
Base-Backbone interact. energy: -0.124
local terms energy: -77.516386
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -10.402
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: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -224.651156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.651156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.651156 (E_RNA)
where:
Base-Base interactions energy: -151.490
where: short stacking energy: -66.594
Base-Backbone interact. energy: -0.017
local terms energy: -73.144713
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -228.237836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.237836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.237836 (E_RNA)
where:
Base-Base interactions energy: -154.586
where: short stacking energy: -71.559
Base-Backbone interact. energy: -0.001
local terms energy: -73.650974
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -23.038
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: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -220.226528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.226528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.226528 (E_RNA)
where:
Base-Base interactions energy: -145.835
where: short stacking energy: -65.885
Base-Backbone interact. energy: -0.013
local terms energy: -74.378676
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -202.983622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.983622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.983622 (E_RNA)
where:
Base-Base interactions energy: -134.621
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.041
local terms energy: -68.322313
where:
bonds (distance) C4'-P energy: -6.911
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -147.703891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.703891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.703891 (E_RNA)
where:
Base-Base interactions energy: -89.125
where: short stacking energy: -37.614
Base-Backbone interact. energy: -0.279
local terms energy: -58.300649
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -109.935739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.935739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.935739 (E_RNA)
where:
Base-Base interactions energy: -62.330
where: short stacking energy: -35.471
Base-Backbone interact. energy: -0.260
local terms energy: -47.345294
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -7.738
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: 1.368
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -89.957354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.957354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.957354 (E_RNA)
where:
Base-Base interactions energy: -41.262
where: short stacking energy: -39.277
Base-Backbone interact. energy: -0.169
local terms energy: -48.526594
where:
bonds (distance) C4'-P energy: -2.729
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -9.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -79.890824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.890824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.890824 (E_RNA)
where:
Base-Base interactions energy: -29.709
where: short stacking energy: -29.709
Base-Backbone interact. energy: -0.122
local terms energy: -50.060567
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -226.771468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.771468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.771468 (E_RNA)
where:
Base-Base interactions energy: -149.136
where: short stacking energy: -60.966
Base-Backbone interact. energy: -0.213
local terms energy: -77.422397
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -235.243745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.243745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.243745 (E_RNA)
where:
Base-Base interactions energy: -155.563
where: short stacking energy: -74.614
Base-Backbone interact. energy: -0.603
local terms energy: -79.077253
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -228.702290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.702290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.702290 (E_RNA)
where:
Base-Base interactions energy: -151.101
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.345
local terms energy: -77.256041
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -19.995
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: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -223.636960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.636960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.636960 (E_RNA)
where:
Base-Base interactions energy: -149.954
where: short stacking energy: -66.970
Base-Backbone interact. energy: -0.016
local terms energy: -73.667112
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -222.974696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.974696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.974696 (E_RNA)
where:
Base-Base interactions energy: -147.840
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.096
local terms energy: -75.038756
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -216.916949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.916949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.916949 (E_RNA)
where:
Base-Base interactions energy: -149.786
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.252
local terms energy: -66.879382
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -19.970
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: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -168.629416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.629416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.629416 (E_RNA)
where:
Base-Base interactions energy: -109.298
where: short stacking energy: -52.329
Base-Backbone interact. energy: -0.092
local terms energy: -59.239373
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -115.935215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.935215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.935215 (E_RNA)
where:
Base-Base interactions energy: -63.769
where: short stacking energy: -38.160
Base-Backbone interact. energy: -0.011
local terms energy: -52.154810
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -8.666
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: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -93.470494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.470494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.470494 (E_RNA)
where:
Base-Base interactions energy: -59.217
where: short stacking energy: -36.507
Base-Backbone interact. energy: -0.583
local terms energy: -33.670307
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -8.972
flat angles C4'-P-C4' energy: -6.802
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -70.237355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.237355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.237355 (E_RNA)
where:
Base-Base interactions energy: -23.822
where: short stacking energy: -23.822
Base-Backbone interact. energy: -0.053
local terms energy: -46.362563
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: 0.505
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: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -237.780211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.780211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.780211 (E_RNA)
where:
Base-Base interactions energy: -156.503
where: short stacking energy: -66.789
Base-Backbone interact. energy: -0.001
local terms energy: -81.275786
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -228.477168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.477168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.477168 (E_RNA)
where:
Base-Base interactions energy: -150.887
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.007
local terms energy: -77.582656
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -224.276444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.276444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.276444 (E_RNA)
where:
Base-Base interactions energy: -148.523
where: short stacking energy: -70.433
Base-Backbone interact. energy: -0.074
local terms energy: -75.679139
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -221.412797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.412797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.412797 (E_RNA)
where:
Base-Base interactions energy: -143.487
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.274
local terms energy: -77.651658
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -216.961406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.961406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.961406 (E_RNA)
where:
Base-Base interactions energy: -145.859
where: short stacking energy: -70.031
Base-Backbone interact. energy: -0.281
local terms energy: -70.821333
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -223.133851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.133851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.133851 (E_RNA)
where:
Base-Base interactions energy: -147.005
where: short stacking energy: -63.980
Base-Backbone interact. energy: -0.018
local terms energy: -76.110400
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -166.444379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.444379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.444379 (E_RNA)
where:
Base-Base interactions energy: -107.774
where: short stacking energy: -46.056
Base-Backbone interact. energy: -0.364
local terms energy: -58.306329
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -10.703
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: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -119.432513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.432513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.432513 (E_RNA)
where:
Base-Base interactions energy: -68.417
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.835
local terms energy: -50.179729
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -93.312898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.312898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.312898 (E_RNA)
where:
Base-Base interactions energy: -38.792
where: short stacking energy: -38.792
Base-Backbone interact. energy: -0.478
local terms energy: -54.042753
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -88.406416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.406416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.406416 (E_RNA)
where:
Base-Base interactions energy: -39.211
where: short stacking energy: -26.475
Base-Backbone interact. energy: -0.007
local terms energy: -49.187641
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -6.357
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -236.220104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.220104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.220104 (E_RNA)
where:
Base-Base interactions energy: -157.719
where: short stacking energy: -77.366
Base-Backbone interact. energy: -0.027
local terms energy: -78.474456
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -226.246073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.246073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.246073 (E_RNA)
where:
Base-Base interactions energy: -145.762
where: short stacking energy: -72.690
Base-Backbone interact. energy: -0.001
local terms energy: -80.482361
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -19.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -222.117119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.117119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.117119 (E_RNA)
where:
Base-Base interactions energy: -150.850
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.169
local terms energy: -71.098485
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -8.260
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: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -211.453446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.453446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.453446 (E_RNA)
where:
Base-Base interactions energy: -139.712
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.632
local terms energy: -71.109043
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -180.291434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.291434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.291434 (E_RNA)
where:
Base-Base interactions energy: -118.940
where: short stacking energy: -53.817
Base-Backbone interact. energy: -0.533
local terms energy: -60.817998
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -1.965
tors. eta vs tors. theta energy: -16.093
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: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -182.738245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.738245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.738245 (E_RNA)
where:
Base-Base interactions energy: -124.760
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.007
local terms energy: -57.971435
where:
bonds (distance) C4'-P energy: -5.738
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -215.409386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.409386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.409386 (E_RNA)
where:
Base-Base interactions energy: -148.038
where: short stacking energy: -68.511
Base-Backbone interact. energy: -0.100
local terms energy: -67.271138
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.491
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: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -84.268597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.268597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.268597 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.364
local terms energy: -47.143638
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.992328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.992328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.992328 (E_RNA)
where:
Base-Base interactions energy: -44.642
where: short stacking energy: -18.948
Base-Backbone interact. energy: -0.652
local terms energy: -42.698439
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -8.399
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -81.768271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.768271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.768271 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -34.799
Base-Backbone interact. energy: -0.313
local terms energy: -46.656628
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -8.454
flat angles P-C4'-P energy: -11.213
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: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -232.716360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.716360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.716360 (E_RNA)
where:
Base-Base interactions energy: -155.713
where: short stacking energy: -71.712
Base-Backbone interact. energy: -0.002
local terms energy: -77.001598
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -243.855988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.855988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.855988 (E_RNA)
where:
Base-Base interactions energy: -162.903
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.065
local terms energy: -80.888098
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -226.534444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.534444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.534444 (E_RNA)
where:
Base-Base interactions energy: -143.003
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.010
local terms energy: -83.521878
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -229.460235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.460235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.460235 (E_RNA)
where:
Base-Base interactions energy: -153.714
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.027
local terms energy: -75.719530
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -212.552541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.552541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.552541 (E_RNA)
where:
Base-Base interactions energy: -140.972
where: short stacking energy: -69.858
Base-Backbone interact. energy: -0.322
local terms energy: -71.257954
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -160.999415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.999415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.999415 (E_RNA)
where:
Base-Base interactions energy: -101.922
where: short stacking energy: -53.538
Base-Backbone interact. energy: -0.017
local terms energy: -59.060552
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -10.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -196.091114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.091114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.091114 (E_RNA)
where:
Base-Base interactions energy: -131.848
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.001
local terms energy: -64.241820
where:
bonds (distance) C4'-P energy: -7.612
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -92.445389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.445389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.445389 (E_RNA)
where:
Base-Base interactions energy: -43.738
where: short stacking energy: -34.832
Base-Backbone interact. energy: -0.426
local terms energy: -48.281380
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -6.014
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: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -86.178765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.178765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.178765 (E_RNA)
where:
Base-Base interactions energy: -34.066
where: short stacking energy: -31.211
Base-Backbone interact. energy: -0.048
local terms energy: -52.064510
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -77.503602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.503602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.503602 (E_RNA)
where:
Base-Base interactions energy: -35.936
where: short stacking energy: -34.932
Base-Backbone interact. energy: 0.837
local terms energy: -42.404594
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -3.567
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -4.650
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: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -234.743352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.743352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.743352 (E_RNA)
where:
Base-Base interactions energy: -157.691
where: short stacking energy: -74.983
Base-Backbone interact. energy: -0.002
local terms energy: -77.050091
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -228.853170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.853170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.853170 (E_RNA)
where:
Base-Base interactions energy: -148.920
where: short stacking energy: -70.417
Base-Backbone interact. energy: 0.405
local terms energy: -80.337941
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -225.978005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.978005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.978005 (E_RNA)
where:
Base-Base interactions energy: -150.783
where: short stacking energy: -71.883
Base-Backbone interact. energy: -0.004
local terms energy: -75.191498
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -22.287
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: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -220.635159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.635159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.635159 (E_RNA)
where:
Base-Base interactions energy: -146.491
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.170
local terms energy: -73.973920
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -206.719512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.719512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.719512 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.269
local terms energy: -71.138712
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -213.478558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.478558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.478558 (E_RNA)
where:
Base-Base interactions energy: -143.637
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.019
local terms energy: -69.822427
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -172.266347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.266347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.266347 (E_RNA)
where:
Base-Base interactions energy: -109.658
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.190
local terms energy: -62.418620
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -89.892006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.892006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.892006 (E_RNA)
where:
Base-Base interactions energy: -37.455
where: short stacking energy: -37.455
Base-Backbone interact. energy: -0.172
local terms energy: -52.265400
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -7.212
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: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -80.459539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.459539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.459539 (E_RNA)
where:
Base-Base interactions energy: -30.329
where: short stacking energy: -20.771
Base-Backbone interact. energy: -0.633
local terms energy: -49.497524
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -8.786
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -3.283
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: 377
Temperature: 1.350000
Total energy: -83.169567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.169567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.169567 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -28.229
Base-Backbone interact. energy: -0.340
local terms energy: -54.600365
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -235.334789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.334789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.334789 (E_RNA)
where:
Base-Base interactions energy: -155.943
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.030
local terms energy: -79.362486
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -229.500290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.500290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.500290 (E_RNA)
where:
Base-Base interactions energy: -150.283
where: short stacking energy: -74.246
Base-Backbone interact. energy: -0.024
local terms energy: -79.193870
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -12.248
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: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -230.422299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.422299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.422299 (E_RNA)
where:
Base-Base interactions energy: -152.209
where: short stacking energy: -68.489
Base-Backbone interact. energy: -0.295
local terms energy: -77.918846
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -22.187
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -226.746299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.746299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.746299 (E_RNA)
where:
Base-Base interactions energy: -155.494
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.002
local terms energy: -71.249724
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -219.251140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.251140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.251140 (E_RNA)
where:
Base-Base interactions energy: -149.111
where: short stacking energy: -66.481
Base-Backbone interact. energy: -0.012
local terms energy: -70.127529
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -202.795563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.795563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.795563 (E_RNA)
where:
Base-Base interactions energy: -139.569
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.097
local terms energy: -63.129150
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -92.847371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.847371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.847371 (E_RNA)
where:
Base-Base interactions energy: -41.843
where: short stacking energy: -41.843
Base-Backbone interact. energy: -0.007
local terms energy: -50.997349
where:
bonds (distance) C4'-P energy: -5.360
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -159.288101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.288101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.288101 (E_RNA)
where:
Base-Base interactions energy: -100.458
where: short stacking energy: -38.130
Base-Backbone interact. energy: -0.333
local terms energy: -58.497741
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -87.956663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.956663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.956663 (E_RNA)
where:
Base-Base interactions energy: -29.496
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.119
local terms energy: -58.341606
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -80.437012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.437012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.437012 (E_RNA)
where:
Base-Base interactions energy: -37.791
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.449
local terms energy: -42.197384
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -7.167
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: 0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -239.772796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.772796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.772796 (E_RNA)
where:
Base-Base interactions energy: -159.656
where: short stacking energy: -74.825
Base-Backbone interact. energy: 0.740
local terms energy: -80.856485
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -227.988444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.988444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.988444 (E_RNA)
where:
Base-Base interactions energy: -151.524
where: short stacking energy: -70.973
Base-Backbone interact. energy: -0.590
local terms energy: -75.874266
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -19.054
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: 379
Temperature: 1.000000
Total energy: -223.452310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.452310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.452310 (E_RNA)
where:
Base-Base interactions energy: -152.253
where: short stacking energy: -70.074
Base-Backbone interact. energy: -0.764
local terms energy: -70.435066
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -224.844602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.844602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.844602 (E_RNA)
where:
Base-Base interactions energy: -153.135
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.238
local terms energy: -71.471868
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -214.359574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.359574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.359574 (E_RNA)
where:
Base-Base interactions energy: -145.229
where: short stacking energy: -63.746
Base-Backbone interact. energy: -0.075
local terms energy: -69.055596
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -10.638
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: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -218.977469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.977469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.977469 (E_RNA)
where:
Base-Base interactions energy: -148.715
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.518
local terms energy: -69.744135
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -16.190
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: 379
Temperature: 1.200000
Total energy: -88.487018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.487018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.487018 (E_RNA)
where:
Base-Base interactions energy: -46.332
where: short stacking energy: -22.241
Base-Backbone interact. energy: -0.349
local terms energy: -41.806019
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: 1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -94.257663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.257663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.257663 (E_RNA)
where:
Base-Base interactions energy: -40.404
where: short stacking energy: -40.404
Base-Backbone interact. energy: -0.105
local terms energy: -53.749455
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -8.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -143.978351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.978351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.978351 (E_RNA)
where:
Base-Base interactions energy: -90.616
where: short stacking energy: -45.425
Base-Backbone interact. energy: -0.164
local terms energy: -53.197931
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -7.998
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: 379
Temperature: 1.350000
Total energy: -78.925360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.925360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.925360 (E_RNA)
where:
Base-Base interactions energy: -40.775
where: short stacking energy: -28.430
Base-Backbone interact. energy: -0.099
local terms energy: -38.051478
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -1.293
tors. eta vs tors. theta energy: -5.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -235.169671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.169671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.169671 (E_RNA)
where:
Base-Base interactions energy: -152.131
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.633
local terms energy: -82.406336
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -226.828893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.828893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.828893 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.092
local terms energy: -78.264051
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -12.215
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: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -231.517520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.517520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.517520 (E_RNA)
where:
Base-Base interactions energy: -154.389
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.171
local terms energy: -76.957334
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -222.859887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.859887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.859887 (E_RNA)
where:
Base-Base interactions energy: -148.286
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.068
local terms energy: -74.506550
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -23.170
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -224.393097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.393097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.393097 (E_RNA)
where:
Base-Base interactions energy: -155.563
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.008
local terms energy: -68.821972
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -22.139
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: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -214.903445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.903445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.903445 (E_RNA)
where:
Base-Base interactions energy: -150.265
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.055
local terms energy: -64.583278
where:
bonds (distance) C4'-P energy: -5.476
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -126.986833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.986833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.986833 (E_RNA)
where:
Base-Base interactions energy: -88.119
where: short stacking energy: -45.453
Base-Backbone interact. energy: 0.479
local terms energy: -39.346614
where:
bonds (distance) C4'-P energy: -7.198
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 2.161
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: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -102.249691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.249691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.249691 (E_RNA)
where:
Base-Base interactions energy: -47.502
where: short stacking energy: -25.884
Base-Backbone interact. energy: 1.239
local terms energy: -55.986013
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -8.246
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: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -105.699954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.699954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.699954 (E_RNA)
where:
Base-Base interactions energy: -58.596
where: short stacking energy: -31.483
Base-Backbone interact. energy: -0.020
local terms energy: -47.083881
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -105.017077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.017077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.017077 (E_RNA)
where:
Base-Base interactions energy: -57.557
where: short stacking energy: -27.218
Base-Backbone interact. energy: -0.246
local terms energy: -47.213920
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -234.929868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.929868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.929868 (E_RNA)
where:
Base-Base interactions energy: -158.232
where: short stacking energy: -66.546
Base-Backbone interact. energy: -0.587
local terms energy: -76.110704
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -20.863
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: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -231.453844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.453844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.453844 (E_RNA)
where:
Base-Base interactions energy: -155.536
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.787
local terms energy: -75.131412
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -225.745503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745503 (E_RNA)
where:
Base-Base interactions energy: -151.970
where: short stacking energy: -76.167
Base-Backbone interact. energy: -0.003
local terms energy: -73.772799
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -222.747856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.747856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.747856 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.244
local terms energy: -74.503435
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -224.579223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.579223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.579223 (E_RNA)
where:
Base-Base interactions energy: -147.580
where: short stacking energy: -72.462
Base-Backbone interact. energy: -0.158
local terms energy: -76.841629
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -20.720
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: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -213.318885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.318885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.318885 (E_RNA)
where:
Base-Base interactions energy: -134.945
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.343
local terms energy: -78.031076
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -18.229
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: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -135.481251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.481251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.481251 (E_RNA)
where:
Base-Base interactions energy: -81.605
where: short stacking energy: -43.114
Base-Backbone interact. energy: -0.575
local terms energy: -53.301211
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -5.409
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -7.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -125.423952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.423952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.423952 (E_RNA)
where:
Base-Base interactions energy: -65.224
where: short stacking energy: -37.216
Base-Backbone interact. energy: -0.258
local terms energy: -59.942661
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -109.507307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.507307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.507307 (E_RNA)
where:
Base-Base interactions energy: -60.997
where: short stacking energy: -22.032
Base-Backbone interact. energy: -0.285
local terms energy: -48.225350
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -81.814338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814338 (E_RNA)
where:
Base-Base interactions energy: -35.786
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.176
local terms energy: -45.852546
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -1.391
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: 382
Temperature: 0.900000
Total energy: -239.467235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.467235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.467235 (E_RNA)
where:
Base-Base interactions energy: -155.008
where: short stacking energy: -72.423
Base-Backbone interact. energy: -1.288
local terms energy: -83.171272
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -22.665
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: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -227.752931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.752931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.752931 (E_RNA)
where:
Base-Base interactions energy: -152.344
where: short stacking energy: -71.513
Base-Backbone interact. energy: -0.074
local terms energy: -75.335675
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -224.841096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.841096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.841096 (E_RNA)
where:
Base-Base interactions energy: -146.935
where: short stacking energy: -70.021
Base-Backbone interact. energy: -0.439
local terms energy: -77.467217
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -219.282717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.282717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.282717 (E_RNA)
where:
Base-Base interactions energy: -146.991
where: short stacking energy: -73.145
Base-Backbone interact. energy: -0.012
local terms energy: -72.279481
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -208.138664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.138664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.138664 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.038
local terms energy: -66.928268
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -10.467
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: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -199.590528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.590528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.590528 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.121
local terms energy: -62.336269
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.322
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: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -141.381150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.381150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.381150 (E_RNA)
where:
Base-Base interactions energy: -83.800
where: short stacking energy: -40.687
Base-Backbone interact. energy: -1.000
local terms energy: -56.580540
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -94.220419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.220419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.220419 (E_RNA)
where:
Base-Base interactions energy: -46.008
where: short stacking energy: -45.836
Base-Backbone interact. energy: -0.194
local terms energy: -48.018345
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -4.899
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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -81.453482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.453482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.453482 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -26.722
Base-Backbone interact. energy: 1.971
local terms energy: -52.289253
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -83.782186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.782186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.782186 (E_RNA)
where:
Base-Base interactions energy: -35.202
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.664
local terms energy: -47.916830
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -239.054882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.054882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.054882 (E_RNA)
where:
Base-Base interactions energy: -163.803
where: short stacking energy: -75.734
Base-Backbone interact. energy: -0.016
local terms energy: -75.236104
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -235.703717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.703717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.703717 (E_RNA)
where:
Base-Base interactions energy: -155.148
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.611
local terms energy: -79.945114
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -227.680441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.680441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.680441 (E_RNA)
where:
Base-Base interactions energy: -150.949
where: short stacking energy: -71.695
Base-Backbone interact. energy: -0.008
local terms energy: -76.723475
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -224.646916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.646916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.646916 (E_RNA)
where:
Base-Base interactions energy: -146.345
where: short stacking energy: -70.191
Base-Backbone interact. energy: 0.046
local terms energy: -78.347475
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -218.306666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.306666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.306666 (E_RNA)
where:
Base-Base interactions energy: -145.729
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.291
local terms energy: -72.287070
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -20.471
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: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -216.584144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.584144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.584144 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -68.771
Base-Backbone interact. energy: 0.440
local terms energy: -70.911864
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.894
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: 383
Temperature: 1.200000
Total energy: -145.748485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.748485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.748485 (E_RNA)
where:
Base-Base interactions energy: -94.722
where: short stacking energy: -35.865
Base-Backbone interact. energy: -0.248
local terms energy: -50.778494
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -5.679
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -90.364036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.364036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.364036 (E_RNA)
where:
Base-Base interactions energy: -37.591
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.070
local terms energy: -52.703212
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -5.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -83.995069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.995069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.995069 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -29.450
Base-Backbone interact. energy: -0.347
local terms energy: -52.896800
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -78.671199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.671199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.671199 (E_RNA)
where:
Base-Base interactions energy: -33.410
where: short stacking energy: -18.625
Base-Backbone interact. energy: -0.069
local terms energy: -45.191700
where:
bonds (distance) C4'-P energy: -7.508
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -233.443133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.443133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.443133 (E_RNA)
where:
Base-Base interactions energy: -156.025
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.003
local terms energy: -77.414706
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -9.012
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: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -233.111284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.111284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.111284 (E_RNA)
where:
Base-Base interactions energy: -156.705
where: short stacking energy: -72.791
Base-Backbone interact. energy: -0.286
local terms energy: -76.120133
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -225.937213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.937213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.937213 (E_RNA)
where:
Base-Base interactions energy: -150.044
where: short stacking energy: -70.775
Base-Backbone interact. energy: 0.738
local terms energy: -76.631033
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -229.200088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.200088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.200088 (E_RNA)
where:
Base-Base interactions energy: -156.260
where: short stacking energy: -71.937
Base-Backbone interact. energy: -0.006
local terms energy: -72.933400
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -215.652001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.652001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.652001 (E_RNA)
where:
Base-Base interactions energy: -146.557
where: short stacking energy: -67.419
Base-Backbone interact. energy: -0.025
local terms energy: -69.070711
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -7.648
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: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -211.536013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.536013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.536013 (E_RNA)
where:
Base-Base interactions energy: -142.718
where: short stacking energy: -63.812
Base-Backbone interact. energy: -0.059
local terms energy: -68.759015
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -18.366
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: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -100.008500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.008500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.008500 (E_RNA)
where:
Base-Base interactions energy: -50.430
where: short stacking energy: -24.677
Base-Backbone interact. energy: -0.182
local terms energy: -49.396174
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -0.831
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: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -106.144468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.144468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.144468 (E_RNA)
where:
Base-Base interactions energy: -57.893
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.266
local terms energy: -47.984922
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -88.712254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.712254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.712254 (E_RNA)
where:
Base-Base interactions energy: -38.436
where: short stacking energy: -27.074
Base-Backbone interact. energy: -0.146
local terms energy: -50.129739
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.754
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: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -79.104360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.104360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.104360 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -14.866
Base-Backbone interact. energy: -0.236
local terms energy: -48.193297
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -235.189650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.189650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.189650 (E_RNA)
where:
Base-Base interactions energy: -156.200
where: short stacking energy: -71.168
Base-Backbone interact. energy: -0.023
local terms energy: -78.966864
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -228.552616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.552616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.552616 (E_RNA)
where:
Base-Base interactions energy: -151.394
where: short stacking energy: -72.644
Base-Backbone interact. energy: -0.238
local terms energy: -76.920931
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -226.847433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.847433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.847433 (E_RNA)
where:
Base-Base interactions energy: -149.931
where: short stacking energy: -74.112
Base-Backbone interact. energy: -0.013
local terms energy: -76.903261
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -21.235
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: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -218.292984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.292984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.292984 (E_RNA)
where:
Base-Base interactions energy: -146.089
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.019
local terms energy: -72.185416
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -203.327871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.327871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.327871 (E_RNA)
where:
Base-Base interactions energy: -130.537
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.660
local terms energy: -72.131136
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -223.001776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.001776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.001776 (E_RNA)
where:
Base-Base interactions energy: -145.946
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.606
local terms energy: -76.449306
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -83.762623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762623 (E_RNA)
where:
Base-Base interactions energy: -26.314
where: short stacking energy: -26.314
Base-Backbone interact. energy: -0.042
local terms energy: -57.406908
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -86.354692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.354692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.354692 (E_RNA)
where:
Base-Base interactions energy: -30.875
where: short stacking energy: -30.875
Base-Backbone interact. energy: -0.088
local terms energy: -55.392429
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -84.889229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.889229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.889229 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -12.441
Base-Backbone interact. energy: -0.368
local terms energy: -45.375040
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: 7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -79.465398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.465398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.465398 (E_RNA)
where:
Base-Base interactions energy: -42.121
where: short stacking energy: -16.600
Base-Backbone interact. energy: -0.148
local terms energy: -37.195886
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -5.428
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -241.721031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.721031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.721031 (E_RNA)
where:
Base-Base interactions energy: -155.055
where: short stacking energy: -74.844
Base-Backbone interact. energy: -0.003
local terms energy: -86.663454
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -23.290
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -234.446692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.446692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.446692 (E_RNA)
where:
Base-Base interactions energy: -156.142
where: short stacking energy: -76.757
Base-Backbone interact. energy: -0.009
local terms energy: -78.295811
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -220.607234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.607234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607234 (E_RNA)
where:
Base-Base interactions energy: -149.425
where: short stacking energy: -66.345
Base-Backbone interact. energy: -0.092
local terms energy: -71.089362
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -219.646207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646207 (E_RNA)
where:
Base-Base interactions energy: -144.919
where: short stacking energy: -66.708
Base-Backbone interact. energy: -0.043
local terms energy: -74.684076
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -223.988950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.988950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.988950 (E_RNA)
where:
Base-Base interactions energy: -145.897
where: short stacking energy: -74.141
Base-Backbone interact. energy: -0.262
local terms energy: -77.829176
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -21.165
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: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -210.045893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.045893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.045893 (E_RNA)
where:
Base-Base interactions energy: -134.197
where: short stacking energy: -70.250
Base-Backbone interact. energy: -0.074
local terms energy: -75.774599
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -152.819584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.819584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.819584 (E_RNA)
where:
Base-Base interactions energy: -91.660
where: short stacking energy: -39.905
Base-Backbone interact. energy: -0.082
local terms energy: -61.078113
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -9.355
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: 386
Temperature: 1.250000
Total energy: -92.831037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.831037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.831037 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -36.462
Base-Backbone interact. energy: 0.090
local terms energy: -56.458847
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -87.277483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.277483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.277483 (E_RNA)
where:
Base-Base interactions energy: -37.219
where: short stacking energy: -25.863
Base-Backbone interact. energy: -0.218
local terms energy: -49.839913
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -80.710734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.710734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.710734 (E_RNA)
where:
Base-Base interactions energy: -37.083
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.077
local terms energy: -43.551246
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -240.420987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.420987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.420987 (E_RNA)
where:
Base-Base interactions energy: -159.202
where: short stacking energy: -80.487
Base-Backbone interact. energy: -0.074
local terms energy: -81.144375
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -21.521
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: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -230.625656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.625656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.625656 (E_RNA)
where:
Base-Base interactions energy: -155.186
where: short stacking energy: -69.946
Base-Backbone interact. energy: -0.004
local terms energy: -75.436321
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -224.077859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.077859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.077859 (E_RNA)
where:
Base-Base interactions energy: -147.301
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.490
local terms energy: -76.286742
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -225.420875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.420875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.420875 (E_RNA)
where:
Base-Base interactions energy: -143.779
where: short stacking energy: -64.136
Base-Backbone interact. energy: -0.000
local terms energy: -81.640997
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -22.946
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: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -222.326056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.326056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.326056 (E_RNA)
where:
Base-Base interactions energy: -150.635
where: short stacking energy: -73.493
Base-Backbone interact. energy: -0.030
local terms energy: -71.661829
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -219.002570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.002570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.002570 (E_RNA)
where:
Base-Base interactions energy: -144.660
where: short stacking energy: -66.337
Base-Backbone interact. energy: -0.019
local terms energy: -74.323546
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -18.758
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: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -160.300454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.300454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.300454 (E_RNA)
where:
Base-Base interactions energy: -93.692
where: short stacking energy: -49.375
Base-Backbone interact. energy: -0.237
local terms energy: -66.370978
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -11.292
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: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -101.072541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.072541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.072541 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -36.052
Base-Backbone interact. energy: -0.058
local terms energy: -58.829089
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -8.412
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -90.783098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.783098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.783098 (E_RNA)
where:
Base-Base interactions energy: -39.472
where: short stacking energy: -35.348
Base-Backbone interact. energy: 0.346
local terms energy: -51.657575
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -7.220
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -6.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -96.636480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.636480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.636480 (E_RNA)
where:
Base-Base interactions energy: -42.485
where: short stacking energy: -16.472
Base-Backbone interact. energy: 0.993
local terms energy: -55.144705
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: 1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -238.103671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.103671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.103671 (E_RNA)
where:
Base-Base interactions energy: -155.325
where: short stacking energy: -82.051
Base-Backbone interact. energy: -0.157
local terms energy: -82.621323
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -237.172729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.172729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.172729 (E_RNA)
where:
Base-Base interactions energy: -160.861
where: short stacking energy: -75.971
Base-Backbone interact. energy: -0.009
local terms energy: -76.303079
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -18.405
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -21.284
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: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -227.167525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.167525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.167525 (E_RNA)
where:
Base-Base interactions energy: -159.697
where: short stacking energy: -70.148
Base-Backbone interact. energy: -0.261
local terms energy: -67.208853
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -2.904
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -222.918026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.918026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.918026 (E_RNA)
where:
Base-Base interactions energy: -150.314
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.181
local terms energy: -72.423318
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -21.649
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: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -211.053821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.053821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.053821 (E_RNA)
where:
Base-Base interactions energy: -143.013
where: short stacking energy: -69.854
Base-Backbone interact. energy: -0.005
local terms energy: -68.034987
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -17.096
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: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -208.679646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.679646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.679646 (E_RNA)
where:
Base-Base interactions energy: -138.945
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.057
local terms energy: -69.678321
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -150.118585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.118585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.118585 (E_RNA)
where:
Base-Base interactions energy: -91.554
where: short stacking energy: -36.945
Base-Backbone interact. energy: -0.769
local terms energy: -57.795239
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -12.709
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: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -83.984319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.984319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.984319 (E_RNA)
where:
Base-Base interactions energy: -31.291
where: short stacking energy: -25.377
Base-Backbone interact. energy: -0.207
local terms energy: -52.485444
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -95.608013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.608013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.608013 (E_RNA)
where:
Base-Base interactions energy: -53.193
where: short stacking energy: -19.482
Base-Backbone interact. energy: -0.432
local terms energy: -41.983834
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -7.215
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -12.798
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: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -71.955400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.955400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.955400 (E_RNA)
where:
Base-Base interactions energy: -30.917
where: short stacking energy: -30.351
Base-Backbone interact. energy: -0.322
local terms energy: -40.716275
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -6.591
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: 2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -230.929415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.929415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.929415 (E_RNA)
where:
Base-Base interactions energy: -151.809
where: short stacking energy: -66.521
Base-Backbone interact. energy: -0.004
local terms energy: -79.115608
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -233.331208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.331208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.331208 (E_RNA)
where:
Base-Base interactions energy: -154.073
where: short stacking energy: -72.926
Base-Backbone interact. energy: -0.020
local terms energy: -79.238384
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -229.536522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.536522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.536522 (E_RNA)
where:
Base-Base interactions energy: -151.407
where: short stacking energy: -73.893
Base-Backbone interact. energy: -0.009
local terms energy: -78.120895
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.376
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: 4, replica: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -216.236506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.236506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.236506 (E_RNA)
where:
Base-Base interactions energy: -148.370
where: short stacking energy: -58.070
Base-Backbone interact. energy: -0.670
local terms energy: -67.195943
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -10.747
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: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -205.130533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.130533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.130533 (E_RNA)
where:
Base-Base interactions energy: -134.730
where: short stacking energy: -65.086
Base-Backbone interact. energy: -0.243
local terms energy: -70.157625
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -214.368298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.368298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.368298 (E_RNA)
where:
Base-Base interactions energy: -138.336
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.477
local terms energy: -75.555178
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -21.775
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: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -163.183032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.183032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.183032 (E_RNA)
where:
Base-Base interactions energy: -106.783
where: short stacking energy: -44.766
Base-Backbone interact. energy: -0.754
local terms energy: -55.645589
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -2.840
tors. eta vs tors. theta energy: -10.404
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: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -90.118160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.118160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.118160 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -32.288
Base-Backbone interact. energy: -0.029
local terms energy: -57.800604
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -83.136834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136834 (E_RNA)
where:
Base-Base interactions energy: -28.810
where: short stacking energy: -25.138
Base-Backbone interact. energy: -0.950
local terms energy: -53.376173
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -13.120
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: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -85.676329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.676329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.676329 (E_RNA)
where:
Base-Base interactions energy: -47.393
where: short stacking energy: -47.393
Base-Backbone interact. energy: -0.007
local terms energy: -38.275666
where:
bonds (distance) C4'-P energy: -3.946
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -6.244
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: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -236.561086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.561086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.561086 (E_RNA)
where:
Base-Base interactions energy: -160.463
where: short stacking energy: -74.729
Base-Backbone interact. energy: -0.026
local terms energy: -76.072408
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -11.386
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: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -234.505556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.505556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.505556 (E_RNA)
where:
Base-Base interactions energy: -150.150
where: short stacking energy: -73.498
Base-Backbone interact. energy: -0.006
local terms energy: -84.349759
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -21.705
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: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -229.790879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.790879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.790879 (E_RNA)
where:
Base-Base interactions energy: -156.239
where: short stacking energy: -74.644
Base-Backbone interact. energy: -0.214
local terms energy: -73.338146
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -22.423
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: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -224.302795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.302795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.302795 (E_RNA)
where:
Base-Base interactions energy: -143.108
where: short stacking energy: -64.585
Base-Backbone interact. energy: -0.743
local terms energy: -80.451364
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -13.629
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: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -217.581112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.581112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.581112 (E_RNA)
where:
Base-Base interactions energy: -142.928
where: short stacking energy: -71.751
Base-Backbone interact. energy: -0.013
local terms energy: -74.640490
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -172.197551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.197551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.197551 (E_RNA)
where:
Base-Base interactions energy: -106.731
where: short stacking energy: -55.494
Base-Backbone interact. energy: -0.644
local terms energy: -64.822749
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -9.796
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: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -158.476104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.476104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.476104 (E_RNA)
where:
Base-Base interactions energy: -99.116
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.289
local terms energy: -59.071711
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -89.795193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.795193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.795193 (E_RNA)
where:
Base-Base interactions energy: -36.219
where: short stacking energy: -22.893
Base-Backbone interact. energy: -0.260
local terms energy: -53.315613
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -8.087
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: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -93.620157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620157 (E_RNA)
where:
Base-Base interactions energy: -43.181
where: short stacking energy: -29.131
Base-Backbone interact. energy: -0.057
local terms energy: -50.381550
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -4.937
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: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -78.228336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.228336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.228336 (E_RNA)
where:
Base-Base interactions energy: -26.646
where: short stacking energy: -26.314
Base-Backbone interact. energy: -0.097
local terms energy: -51.485682
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -6.846
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: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -233.565631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.565631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.565631 (E_RNA)
where:
Base-Base interactions energy: -151.591
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.873
local terms energy: -81.101752
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -9.357
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: 9
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -231.579252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.579252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.579252 (E_RNA)
where:
Base-Base interactions energy: -158.861
where: short stacking energy: -76.194
Base-Backbone interact. energy: -0.038
local terms energy: -72.680815
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -22.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -217.401560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.401560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.401560 (E_RNA)
where:
Base-Base interactions energy: -142.503
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.083
local terms energy: -74.816051
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -13.323
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: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -221.475214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.475214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.475214 (E_RNA)
where:
Base-Base interactions energy: -143.893
where: short stacking energy: -62.372
Base-Backbone interact. energy: -0.182
local terms energy: -77.400457
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -10.177
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: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -219.126404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.126404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.126404 (E_RNA)
where:
Base-Base interactions energy: -143.764
where: short stacking energy: -66.212
Base-Backbone interact. energy: -0.010
local terms energy: -75.352125
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -189.841837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.841837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.841837 (E_RNA)
where:
Base-Base interactions energy: -118.297
where: short stacking energy: -57.591
Base-Backbone interact. energy: -0.080
local terms energy: -71.464923
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -136.804303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.804303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.804303 (E_RNA)
where:
Base-Base interactions energy: -71.601
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.180
local terms energy: -65.023340
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -7.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -83.063939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.063939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.063939 (E_RNA)
where:
Base-Base interactions energy: -28.270
where: short stacking energy: -28.270
Base-Backbone interact. energy: -0.054
local terms energy: -54.739626
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -101.826507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.826507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.826507 (E_RNA)
where:
Base-Base interactions energy: -42.855
where: short stacking energy: -34.286
Base-Backbone interact. energy: 0.030
local terms energy: -59.000968
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -6.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -79.787364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.787364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.787364 (E_RNA)
where:
Base-Base interactions energy: -26.191
where: short stacking energy: -26.191
Base-Backbone interact. energy: -0.366
local terms energy: -53.229696
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: -5.287
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: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -237.299812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.299812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.299812 (E_RNA)
where:
Base-Base interactions energy: -156.946
where: short stacking energy: -74.614
Base-Backbone interact. energy: -0.002
local terms energy: -80.351871
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -230.751606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.751606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.751606 (E_RNA)
where:
Base-Base interactions energy: -155.391
where: short stacking energy: -69.133
Base-Backbone interact. energy: -0.101
local terms energy: -75.259628
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -223.871706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.871706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.871706 (E_RNA)
where:
Base-Base interactions energy: -150.321
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.294
local terms energy: -73.256960
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.490
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: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -220.835066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.835066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.835066 (E_RNA)
where:
Base-Base interactions energy: -146.558
where: short stacking energy: -69.136
Base-Backbone interact. energy: -0.027
local terms energy: -74.249293
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -211.715037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.715037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.715037 (E_RNA)
where:
Base-Base interactions energy: -142.314
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.584
local terms energy: -68.817851
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -188.764046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.764046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.764046 (E_RNA)
where:
Base-Base interactions energy: -121.189
where: short stacking energy: -59.680
Base-Backbone interact. energy: -0.139
local terms energy: -67.436937
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -14.419
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: 392
Temperature: 1.200000
Total energy: -130.154765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.154765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.154765 (E_RNA)
where:
Base-Base interactions energy: -70.892
where: short stacking energy: -36.437
Base-Backbone interact. energy: -0.022
local terms energy: -59.240893
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -95.299923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.299923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.299923 (E_RNA)
where:
Base-Base interactions energy: -47.565
where: short stacking energy: -32.063
Base-Backbone interact. energy: -0.601
local terms energy: -47.133677
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -7.709
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -78.254251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.254251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.254251 (E_RNA)
where:
Base-Base interactions energy: -31.510
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.182
local terms energy: -46.562731
where:
bonds (distance) C4'-P energy: -7.938
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -4.904
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: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -82.662261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.662261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.662261 (E_RNA)
where:
Base-Base interactions energy: -40.633
where: short stacking energy: -31.604
Base-Backbone interact. energy: -0.029
local terms energy: -41.999543
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -6.382
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -235.553796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.553796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.553796 (E_RNA)
where:
Base-Base interactions energy: -154.855
where: short stacking energy: -71.530
Base-Backbone interact. energy: -0.094
local terms energy: -80.605373
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -222.996916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.996916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.996916 (E_RNA)
where:
Base-Base interactions energy: -151.559
where: short stacking energy: -75.576
Base-Backbone interact. energy: -0.149
local terms energy: -71.288108
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -229.017725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.017725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.017725 (E_RNA)
where:
Base-Base interactions energy: -153.103
where: short stacking energy: -74.347
Base-Backbone interact. energy: -0.001
local terms energy: -75.912930
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -226.368234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.368234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.368234 (E_RNA)
where:
Base-Base interactions energy: -149.433
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.003
local terms energy: -76.931858
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -21.056
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: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -214.303750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.303750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.303750 (E_RNA)
where:
Base-Base interactions energy: -140.474
where: short stacking energy: -64.467
Base-Backbone interact. energy: -0.083
local terms energy: -73.746938
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -7.409
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: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -214.880301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.880301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.880301 (E_RNA)
where:
Base-Base interactions energy: -146.426
where: short stacking energy: -66.607
Base-Backbone interact. energy: -0.042
local terms energy: -68.412221
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.292
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: 4
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -116.359193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.359193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.359193 (E_RNA)
where:
Base-Base interactions energy: -64.219
where: short stacking energy: -40.671
Base-Backbone interact. energy: 0.010
local terms energy: -52.150417
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -88.435439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.435439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.435439 (E_RNA)
where:
Base-Base interactions energy: -34.301
where: short stacking energy: -32.699
Base-Backbone interact. energy: -0.132
local terms energy: -54.003220
where:
bonds (distance) C4'-P energy: -5.992
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -12.587
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: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -80.352331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.352331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.352331 (E_RNA)
where:
Base-Base interactions energy: -35.565
where: short stacking energy: -28.131
Base-Backbone interact. energy: -0.124
local terms energy: -44.663679
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -100.482119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.482119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.482119 (E_RNA)
where:
Base-Base interactions energy: -50.211
where: short stacking energy: -33.396
Base-Backbone interact. energy: 0.463
local terms energy: -50.733783
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -8.323
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: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -234.820339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.820339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.820339 (E_RNA)
where:
Base-Base interactions energy: -152.482
where: short stacking energy: -67.453
Base-Backbone interact. energy: -0.162
local terms energy: -82.176404
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -230.711963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.711963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.711963 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -72.642
Base-Backbone interact. energy: -0.017
local terms energy: -82.294317
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -217.903193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.903193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.903193 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -64.579
Base-Backbone interact. energy: -0.006
local terms energy: -70.104042
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -8.026
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -230.140578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.140578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.140578 (E_RNA)
where:
Base-Base interactions energy: -154.421
where: short stacking energy: -75.433
Base-Backbone interact. energy: -0.009
local terms energy: -75.709889
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -206.068319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.068319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.068319 (E_RNA)
where:
Base-Base interactions energy: -138.061
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.001
local terms energy: -68.006405
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -219.323013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.323013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.323013 (E_RNA)
where:
Base-Base interactions energy: -146.224
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.579
local terms energy: -72.519578
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -96.707233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.707233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.707233 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.313
local terms energy: -56.963527
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -86.243322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243322 (E_RNA)
where:
Base-Base interactions energy: -43.699
where: short stacking energy: -29.175
Base-Backbone interact. energy: -0.489
local terms energy: -42.055361
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -103.905272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.905272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.905272 (E_RNA)
where:
Base-Base interactions energy: -48.282
where: short stacking energy: -27.137
Base-Backbone interact. energy: -0.281
local terms energy: -55.341974
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -76.531927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.531927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.531927 (E_RNA)
where:
Base-Base interactions energy: -27.981
where: short stacking energy: -27.066
Base-Backbone interact. energy: -0.104
local terms energy: -48.447572
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: 0.981
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -239.245165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.245165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.245165 (E_RNA)
where:
Base-Base interactions energy: -157.612
where: short stacking energy: -73.905
Base-Backbone interact. energy: -0.075
local terms energy: -81.558401
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -239.190891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.190891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.190891 (E_RNA)
where:
Base-Base interactions energy: -160.065
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.293
local terms energy: -78.833824
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -223.773427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.773427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.773427 (E_RNA)
where:
Base-Base interactions energy: -144.525
where: short stacking energy: -63.530
Base-Backbone interact. energy: 0.354
local terms energy: -79.602803
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.945
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: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -225.823857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.823857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.823857 (E_RNA)
where:
Base-Base interactions energy: -147.870
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.002
local terms energy: -77.952607
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -21.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -215.409482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.409482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.409482 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -68.590
Base-Backbone interact. energy: -0.009
local terms energy: -71.875299
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -6.527
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: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -105.188654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.188654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.188654 (E_RNA)
where:
Base-Base interactions energy: -54.659
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.030
local terms energy: -50.500329
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -213.734561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.734561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.734561 (E_RNA)
where:
Base-Base interactions energy: -137.946
where: short stacking energy: -63.859
Base-Backbone interact. energy: -0.664
local terms energy: -75.124033
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -90.391119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.391119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.391119 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -33.538
Base-Backbone interact. energy: -0.103
local terms energy: -50.588705
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -7.025
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -78.798649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.798649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.798649 (E_RNA)
where:
Base-Base interactions energy: -36.498
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.157
local terms energy: -42.144196
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -72.688770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.688770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.688770 (E_RNA)
where:
Base-Base interactions energy: -26.986
where: short stacking energy: -16.746
Base-Backbone interact. energy: -0.306
local terms energy: -45.396915
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: 2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -238.326578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.326578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.326578 (E_RNA)
where:
Base-Base interactions energy: -157.712
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.293
local terms energy: -80.320997
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -229.304872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.304872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.304872 (E_RNA)
where:
Base-Base interactions energy: -156.911
where: short stacking energy: -67.222
Base-Backbone interact. energy: -0.023
local terms energy: -72.371500
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -230.525656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.525656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.525656 (E_RNA)
where:
Base-Base interactions energy: -151.263
where: short stacking energy: -72.314
Base-Backbone interact. energy: -0.752
local terms energy: -78.511164
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -22.812
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: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -223.484770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.484770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.484770 (E_RNA)
where:
Base-Base interactions energy: -147.525
where: short stacking energy: -72.612
Base-Backbone interact. energy: -0.680
local terms energy: -75.279669
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -209.932003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.932003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.932003 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -63.528
Base-Backbone interact. energy: -0.030
local terms energy: -73.496042
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -146.806426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.806426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.806426 (E_RNA)
where:
Base-Base interactions energy: -83.238
where: short stacking energy: -42.718
Base-Backbone interact. energy: -0.064
local terms energy: -63.504308
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -207.165263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.165263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.165263 (E_RNA)
where:
Base-Base interactions energy: -139.940
where: short stacking energy: -58.354
Base-Backbone interact. energy: -0.255
local terms energy: -66.970650
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -11.943
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: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -86.551711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.551711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.551711 (E_RNA)
where:
Base-Base interactions energy: -34.833
where: short stacking energy: -34.833
Base-Backbone interact. energy: -0.027
local terms energy: -51.691438
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -83.256768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.256768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.256768 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.497
local terms energy: -50.523965
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -80.717635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.717635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.717635 (E_RNA)
where:
Base-Base interactions energy: -27.389
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.155
local terms energy: -53.173656
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -236.656156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.656156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.656156 (E_RNA)
where:
Base-Base interactions energy: -153.563
where: short stacking energy: -68.201
Base-Backbone interact. energy: -0.016
local terms energy: -83.076534
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -230.107578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.107578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.107578 (E_RNA)
where:
Base-Base interactions energy: -151.823
where: short stacking energy: -72.033
Base-Backbone interact. energy: 0.031
local terms energy: -78.315785
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -228.874540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.874540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.874540 (E_RNA)
where:
Base-Base interactions energy: -160.550
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.008
local terms energy: -68.316744
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -11.033
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: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -224.518426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.518426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.518426 (E_RNA)
where:
Base-Base interactions energy: -145.735
where: short stacking energy: -69.361
Base-Backbone interact. energy: -0.006
local terms energy: -78.777807
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -22.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -217.539022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.539022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.539022 (E_RNA)
where:
Base-Base interactions energy: -148.974
where: short stacking energy: -73.282
Base-Backbone interact. energy: -0.246
local terms energy: -68.319833
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -208.316546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.316546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.316546 (E_RNA)
where:
Base-Base interactions energy: -134.542
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.002
local terms energy: -73.772568
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -13.195
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: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -146.024298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.024298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.024298 (E_RNA)
where:
Base-Base interactions energy: -85.529
where: short stacking energy: -41.496
Base-Backbone interact. energy: 1.198
local terms energy: -61.693992
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -81.383012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.383012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.383012 (E_RNA)
where:
Base-Base interactions energy: -27.065
where: short stacking energy: -24.389
Base-Backbone interact. energy: -0.008
local terms energy: -54.310053
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -77.712688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.712688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.712688 (E_RNA)
where:
Base-Base interactions energy: -30.957
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.163
local terms energy: -46.592500
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -5.126
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -78.783748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.783748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.783748 (E_RNA)
where:
Base-Base interactions energy: -30.289
where: short stacking energy: -21.690
Base-Backbone interact. energy: 0.816
local terms energy: -49.310403
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -231.550018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.550018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.550018 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -72.926
Base-Backbone interact. energy: -0.003
local terms energy: -76.867004
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -232.678839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.678839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.678839 (E_RNA)
where:
Base-Base interactions energy: -155.334
where: short stacking energy: -71.906
Base-Backbone interact. energy: -0.428
local terms energy: -76.917154
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.209
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: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -233.127826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.127826 (E_RNA)
where:
Base-Base interactions energy: -155.667
where: short stacking energy: -72.961
Base-Backbone interact. energy: -0.044
local terms energy: -77.416884
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -222.657649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.657649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.657649 (E_RNA)
where:
Base-Base interactions energy: -148.480
where: short stacking energy: -69.260
Base-Backbone interact. energy: -0.220
local terms energy: -73.957664
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -217.525422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.525422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.525422 (E_RNA)
where:
Base-Base interactions energy: -143.612
where: short stacking energy: -67.081
Base-Backbone interact. energy: -0.177
local terms energy: -73.735893
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -206.393797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.393797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.393797 (E_RNA)
where:
Base-Base interactions energy: -143.337
where: short stacking energy: -69.705
Base-Backbone interact. energy: 0.402
local terms energy: -63.459174
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -90.127866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.127866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.127866 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -29.912
Base-Backbone interact. energy: -0.140
local terms energy: -54.501698
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -6.108
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: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -129.179439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.179439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.179439 (E_RNA)
where:
Base-Base interactions energy: -78.531
where: short stacking energy: -28.508
Base-Backbone interact. energy: 0.264
local terms energy: -50.913262
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -9.925
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: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -87.662211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662211 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.119
local terms energy: -55.870595
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -93.390813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.390813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.390813 (E_RNA)
where:
Base-Base interactions energy: -34.795
where: short stacking energy: -34.795
Base-Backbone interact. energy: -0.020
local terms energy: -58.575598
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -231.807331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.807331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.807331 (E_RNA)
where:
Base-Base interactions energy: -150.530
where: short stacking energy: -72.232
Base-Backbone interact. energy: -0.024
local terms energy: -81.254121
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -233.818731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.818731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.818731 (E_RNA)
where:
Base-Base interactions energy: -156.841
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.010
local terms energy: -76.968390
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -9.071
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: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -230.572199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.572199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.572199 (E_RNA)
where:
Base-Base interactions energy: -153.383
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.001
local terms energy: -77.187621
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -20.419
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: 399
Temperature: 1.050000
Total energy: -223.612775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612775 (E_RNA)
where:
Base-Base interactions energy: -150.296
where: short stacking energy: -67.834
Base-Backbone interact. energy: -1.252
local terms energy: -72.065452
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.945
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: 9
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -217.165591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.165591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.165591 (E_RNA)
where:
Base-Base interactions energy: -138.205
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.006
local terms energy: -78.954851
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -19.365
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: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -166.734656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734656 (E_RNA)
where:
Base-Base interactions energy: -98.673
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.186
local terms energy: -67.875963
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -11.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -100.800962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.800962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.800962 (E_RNA)
where:
Base-Base interactions energy: -46.986
where: short stacking energy: -46.986
Base-Backbone interact. energy: -0.095
local terms energy: -53.719777
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -87.099762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.099762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.099762 (E_RNA)
where:
Base-Base interactions energy: -31.476
where: short stacking energy: -28.084
Base-Backbone interact. energy: -0.208
local terms energy: -55.415306
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -3.999
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: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -82.611180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.611180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.611180 (E_RNA)
where:
Base-Base interactions energy: -36.891
where: short stacking energy: -27.962
Base-Backbone interact. energy: -0.199
local terms energy: -45.520916
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -75.165699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.165699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.165699 (E_RNA)
where:
Base-Base interactions energy: -26.397
where: short stacking energy: -26.397
Base-Backbone interact. energy: 0.142
local terms energy: -48.910808
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -238.516453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.516453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.516453 (E_RNA)
where:
Base-Base interactions energy: -154.779
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.009
local terms energy: -83.728494
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -22.835
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: 400
Temperature: 0.950000
Total energy: -225.063319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.063319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.063319 (E_RNA)
where:
Base-Base interactions energy: -156.033
where: short stacking energy: -65.448
Base-Backbone interact. energy: -0.430
local terms energy: -68.600023
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -220.642212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.642212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.642212 (E_RNA)
where:
Base-Base interactions energy: -149.639
where: short stacking energy: -73.892
Base-Backbone interact. energy: -0.631
local terms energy: -70.372923
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -9.291
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: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -229.647717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.647717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.647717 (E_RNA)
where:
Base-Base interactions energy: -154.751
where: short stacking energy: -72.511
Base-Backbone interact. energy: 0.749
local terms energy: -75.645382
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -22.157
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: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -202.630816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.630816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.630816 (E_RNA)
where:
Base-Base interactions energy: -134.269
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.011
local terms energy: -68.350557
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -177.578729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.578729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.578729 (E_RNA)
where:
Base-Base interactions energy: -110.835
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.020
local terms energy: -66.723789
where:
bonds (distance) C4'-P energy: -9.496
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -12.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -93.582582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.582582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.582582 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -40.234
Base-Backbone interact. energy: -0.180
local terms energy: -53.168929
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -6.214
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: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -89.413787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.413787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.413787 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -30.383
Base-Backbone interact. energy: -0.348
local terms energy: -50.918673
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -75.423079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.423079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.423079 (E_RNA)
where:
Base-Base interactions energy: -27.707
where: short stacking energy: -28.107
Base-Backbone interact. energy: -0.403
local terms energy: -47.313282
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -76.048887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.048887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.048887 (E_RNA)
where:
Base-Base interactions energy: -37.310
where: short stacking energy: -24.056
Base-Backbone interact. energy: 0.102
local terms energy: -38.840920
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -7.595
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -235.841186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.841186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.841186 (E_RNA)
where:
Base-Base interactions energy: -162.878
where: short stacking energy: -75.181
Base-Backbone interact. energy: 2.632
local terms energy: -75.595214
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -228.609046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.609046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.609046 (E_RNA)
where:
Base-Base interactions energy: -156.853
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.088
local terms energy: -71.668135
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -223.274045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.274045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.274045 (E_RNA)
where:
Base-Base interactions energy: -149.867
where: short stacking energy: -66.429
Base-Backbone interact. energy: -0.365
local terms energy: -73.042317
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -12.251
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: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -228.053644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.053644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.053644 (E_RNA)
where:
Base-Base interactions energy: -153.224
where: short stacking energy: -69.337
Base-Backbone interact. energy: -0.007
local terms energy: -74.822788
where:
bonds (distance) C4'-P energy: -9.230
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -22.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -217.131924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.131924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.131924 (E_RNA)
where:
Base-Base interactions energy: -140.515
where: short stacking energy: -67.836
Base-Backbone interact. energy: 0.005
local terms energy: -76.622079
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -11.724
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: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -178.798591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.798591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.798591 (E_RNA)
where:
Base-Base interactions energy: -119.648
where: short stacking energy: -51.306
Base-Backbone interact. energy: -0.126
local terms energy: -59.024805
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -10.550
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: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -104.220054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.220054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.220054 (E_RNA)
where:
Base-Base interactions energy: -59.334
where: short stacking energy: -41.901
Base-Backbone interact. energy: -0.267
local terms energy: -44.618965
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -3.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -96.952878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.952878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.952878 (E_RNA)
where:
Base-Base interactions energy: -46.518
where: short stacking energy: -31.911
Base-Backbone interact. energy: -0.597
local terms energy: -49.837615
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -80.091354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.091354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.091354 (E_RNA)
where:
Base-Base interactions energy: -26.016
where: short stacking energy: -26.016
Base-Backbone interact. energy: 0.083
local terms energy: -54.158470
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -78.578478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.578478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.578478 (E_RNA)
where:
Base-Base interactions energy: -35.040
where: short stacking energy: -34.800
Base-Backbone interact. energy: -0.699
local terms energy: -42.838910
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -4.570
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -236.896526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.896526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.896526 (E_RNA)
where:
Base-Base interactions energy: -156.791
where: short stacking energy: -77.094
Base-Backbone interact. energy: -0.001
local terms energy: -80.104527
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -10.209
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: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -231.027809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.027809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.027809 (E_RNA)
where:
Base-Base interactions energy: -151.628
where: short stacking energy: -73.096
Base-Backbone interact. energy: -0.012
local terms energy: -79.388065
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -23.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -230.414583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.414583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.414583 (E_RNA)
where:
Base-Base interactions energy: -158.721
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.006
local terms energy: -71.687453
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -20.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -225.135017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.135017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.135017 (E_RNA)
where:
Base-Base interactions energy: -159.545
where: short stacking energy: -71.640
Base-Backbone interact. energy: -0.291
local terms energy: -65.299208
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -7.492
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: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -210.219415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.219415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.219415 (E_RNA)
where:
Base-Base interactions energy: -139.403
where: short stacking energy: -66.246
Base-Backbone interact. energy: -0.043
local terms energy: -70.773397
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -181.688375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.688375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.688375 (E_RNA)
where:
Base-Base interactions energy: -119.140
where: short stacking energy: -59.889
Base-Backbone interact. energy: -0.006
local terms energy: -62.542391
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -12.371
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: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -94.834620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.834620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.834620 (E_RNA)
where:
Base-Base interactions energy: -49.552
where: short stacking energy: -35.349
Base-Backbone interact. energy: -0.104
local terms energy: -45.178458
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -94.877413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.877413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.877413 (E_RNA)
where:
Base-Base interactions energy: -51.520
where: short stacking energy: -32.100
Base-Backbone interact. energy: -0.296
local terms energy: -43.060959
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -0.564
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: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -84.202971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.202971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.202971 (E_RNA)
where:
Base-Base interactions energy: -36.072
where: short stacking energy: -31.248
Base-Backbone interact. energy: -1.455
local terms energy: -46.676376
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -5.458
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: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -79.151605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.151605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.151605 (E_RNA)
where:
Base-Base interactions energy: -33.423
where: short stacking energy: -16.464
Base-Backbone interact. energy: -0.093
local terms energy: -45.634891
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: 1.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -234.925081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.925081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.925081 (E_RNA)
where:
Base-Base interactions energy: -155.983
where: short stacking energy: -74.699
Base-Backbone interact. energy: -0.185
local terms energy: -78.757375
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -23.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -233.984859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.984859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.984859 (E_RNA)
where:
Base-Base interactions energy: -152.870
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.334
local terms energy: -80.781075
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -229.042432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.042432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.042432 (E_RNA)
where:
Base-Base interactions energy: -154.263
where: short stacking energy: -69.174
Base-Backbone interact. energy: 0.118
local terms energy: -74.897480
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -221.729220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.729220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.729220 (E_RNA)
where:
Base-Base interactions energy: -150.280
where: short stacking energy: -71.231
Base-Backbone interact. energy: 0.674
local terms energy: -72.123260
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.068
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: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -201.617945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.617945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.617945 (E_RNA)
where:
Base-Base interactions energy: -134.666
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.051
local terms energy: -66.901571
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -173.332326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.332326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.332326 (E_RNA)
where:
Base-Base interactions energy: -106.248
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.060
local terms energy: -67.024749
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -95.011442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.011442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.011442 (E_RNA)
where:
Base-Base interactions energy: -43.288
where: short stacking energy: -39.547
Base-Backbone interact. energy: -0.200
local terms energy: -51.522859
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -84.757352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.757352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.757352 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -34.264
Base-Backbone interact. energy: -0.032
local terms energy: -50.461537
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.390192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.390192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.390192 (E_RNA)
where:
Base-Base interactions energy: -47.354
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.213
local terms energy: -42.822934
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -3.885
flat angles P-C4'-P energy: -10.270
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: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -83.754449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.754449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.754449 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -28.197
Base-Backbone interact. energy: -0.061
local terms energy: -53.087040
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -6.236
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: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -236.707364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.707364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.707364 (E_RNA)
where:
Base-Base interactions energy: -155.646
where: short stacking energy: -75.336
Base-Backbone interact. energy: -0.009
local terms energy: -81.052561
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -226.631387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.631387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.631387 (E_RNA)
where:
Base-Base interactions energy: -146.224
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.316
local terms energy: -80.091104
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -219.652537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.652537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.652537 (E_RNA)
where:
Base-Base interactions energy: -145.943
where: short stacking energy: -65.593
Base-Backbone interact. energy: -0.512
local terms energy: -73.197442
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -222.885841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.885841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.885841 (E_RNA)
where:
Base-Base interactions energy: -143.508
where: short stacking energy: -66.426
Base-Backbone interact. energy: -0.001
local terms energy: -79.375965
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -20.265
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -227.543792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.543792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.543792 (E_RNA)
where:
Base-Base interactions energy: -154.314
where: short stacking energy: -67.113
Base-Backbone interact. energy: -0.002
local terms energy: -73.228350
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -170.383416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.383416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.383416 (E_RNA)
where:
Base-Base interactions energy: -114.564
where: short stacking energy: -43.651
Base-Backbone interact. energy: -0.755
local terms energy: -55.063988
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -96.515836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.515836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.515836 (E_RNA)
where:
Base-Base interactions energy: -49.571
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.268
local terms energy: -46.677285
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -93.109963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.109963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.109963 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.060
local terms energy: -60.312978
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -4.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -73.308800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.308800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.308800 (E_RNA)
where:
Base-Base interactions energy: -21.219
where: short stacking energy: -21.219
Base-Backbone interact. energy: -0.328
local terms energy: -51.761827
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: 1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -76.818349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.818349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.818349 (E_RNA)
where:
Base-Base interactions energy: -32.165
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.048
local terms energy: -44.605057
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -241.800081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.800081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.800081 (E_RNA)
where:
Base-Base interactions energy: -160.684
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.003
local terms energy: -81.113094
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -20.871
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: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -230.415774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.415774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.415774 (E_RNA)
where:
Base-Base interactions energy: -150.174
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.251
local terms energy: -79.991031
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -223.321823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321823 (E_RNA)
where:
Base-Base interactions energy: -148.255
where: short stacking energy: -65.175
Base-Backbone interact. energy: -0.006
local terms energy: -75.061197
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -231.191856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.191856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.191856 (E_RNA)
where:
Base-Base interactions energy: -154.481
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.575
local terms energy: -76.135287
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -217.045908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.045908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.045908 (E_RNA)
where:
Base-Base interactions energy: -145.142
where: short stacking energy: -66.768
Base-Backbone interact. energy: 0.156
local terms energy: -72.059204
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -173.020070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.020070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.020070 (E_RNA)
where:
Base-Base interactions energy: -108.864
where: short stacking energy: -51.817
Base-Backbone interact. energy: -1.021
local terms energy: -63.135570
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -88.189753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.189753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.189753 (E_RNA)
where:
Base-Base interactions energy: -40.296
where: short stacking energy: -32.217
Base-Backbone interact. energy: -0.192
local terms energy: -47.702114
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -83.235161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.235161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.235161 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -30.575
Base-Backbone interact. energy: -0.835
local terms energy: -51.847538
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -8.068
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: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -100.747081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.747081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.747081 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -34.177
Base-Backbone interact. energy: -0.058
local terms energy: -57.543351
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -80.845257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.845257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.845257 (E_RNA)
where:
Base-Base interactions energy: -30.124
where: short stacking energy: -25.651
Base-Backbone interact. energy: -0.299
local terms energy: -50.422959
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -8.877
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -236.393779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.393779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.393779 (E_RNA)
where:
Base-Base interactions energy: -159.474
where: short stacking energy: -77.609
Base-Backbone interact. energy: -0.010
local terms energy: -76.909909
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -229.585617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.585617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.585617 (E_RNA)
where:
Base-Base interactions energy: -153.085
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.007
local terms energy: -76.493069
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -21.865
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: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -222.669899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.669899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.669899 (E_RNA)
where:
Base-Base interactions energy: -143.649
where: short stacking energy: -65.189
Base-Backbone interact. energy: -1.157
local terms energy: -77.863900
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -221.001835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.001835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.001835 (E_RNA)
where:
Base-Base interactions energy: -148.277
where: short stacking energy: -64.927
Base-Backbone interact. energy: -0.004
local terms energy: -72.721077
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -223.362514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.362514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.362514 (E_RNA)
where:
Base-Base interactions energy: -145.247
where: short stacking energy: -68.274
Base-Backbone interact. energy: -0.018
local terms energy: -78.097301
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -166.671202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.671202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.671202 (E_RNA)
where:
Base-Base interactions energy: -116.925
where: short stacking energy: -51.234
Base-Backbone interact. energy: 1.165
local terms energy: -50.911645
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -94.942175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.942175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.942175 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.081
local terms energy: -57.252054
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -93.930423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.930423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.930423 (E_RNA)
where:
Base-Base interactions energy: -33.299
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.001
local terms energy: -60.630445
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -7.042
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: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -77.718649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.718649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.718649 (E_RNA)
where:
Base-Base interactions energy: -29.048
where: short stacking energy: -27.786
Base-Backbone interact. energy: -0.236
local terms energy: -48.435178
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -82.298832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.298832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.298832 (E_RNA)
where:
Base-Base interactions energy: -29.002
where: short stacking energy: -16.413
Base-Backbone interact. energy: -0.047
local terms energy: -53.249863
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -239.920182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.920182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.920182 (E_RNA)
where:
Base-Base interactions energy: -163.976
where: short stacking energy: -79.534
Base-Backbone interact. energy: -0.010
local terms energy: -75.934856
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -9.926
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: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -231.056065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.056065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.056065 (E_RNA)
where:
Base-Base interactions energy: -157.484
where: short stacking energy: -75.686
Base-Backbone interact. energy: -0.047
local terms energy: -73.525589
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -234.895533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.895533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.895533 (E_RNA)
where:
Base-Base interactions energy: -154.837
where: short stacking energy: -70.409
Base-Backbone interact. energy: -0.136
local terms energy: -79.922836
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -21.637
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: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -232.030857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.030857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.030857 (E_RNA)
where:
Base-Base interactions energy: -150.928
where: short stacking energy: -72.648
Base-Backbone interact. energy: -0.001
local terms energy: -81.101831
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -226.375470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.375470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.375470 (E_RNA)
where:
Base-Base interactions energy: -153.215
where: short stacking energy: -69.763
Base-Backbone interact. energy: -0.013
local terms energy: -73.147825
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -11.993
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: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -175.686537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.686537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.686537 (E_RNA)
where:
Base-Base interactions energy: -113.541
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.389
local terms energy: -61.756287
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -93.067537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.067537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.067537 (E_RNA)
where:
Base-Base interactions energy: -31.666
where: short stacking energy: -31.767
Base-Backbone interact. energy: -1.574
local terms energy: -59.827935
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -8.962
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -95.327196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.327196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.327196 (E_RNA)
where:
Base-Base interactions energy: -35.781
where: short stacking energy: -35.781
Base-Backbone interact. energy: -0.004
local terms energy: -59.542802
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -85.906952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.906952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.906952 (E_RNA)
where:
Base-Base interactions energy: -31.469
where: short stacking energy: -30.395
Base-Backbone interact. energy: -0.055
local terms energy: -54.383121
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -79.141401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141401 (E_RNA)
where:
Base-Base interactions energy: -34.946
where: short stacking energy: -35.246
Base-Backbone interact. energy: -0.230
local terms energy: -43.965792
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -238.064626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.064626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.064626 (E_RNA)
where:
Base-Base interactions energy: -160.664
where: short stacking energy: -75.937
Base-Backbone interact. energy: -0.721
local terms energy: -76.679545
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -22.789
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: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -235.070181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.070181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.070181 (E_RNA)
where:
Base-Base interactions energy: -157.429
where: short stacking energy: -77.738
Base-Backbone interact. energy: -0.315
local terms energy: -77.326129
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -22.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -224.886003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.886003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.886003 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -68.354
Base-Backbone interact. energy: -0.002
local terms energy: -78.199116
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -223.174442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.174442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.174442 (E_RNA)
where:
Base-Base interactions energy: -153.145
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.157
local terms energy: -69.871750
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -7.631
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: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -213.957724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.957724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.957724 (E_RNA)
where:
Base-Base interactions energy: -141.391
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.052
local terms energy: -72.514473
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -175.810773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.810773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.810773 (E_RNA)
where:
Base-Base interactions energy: -106.259
where: short stacking energy: -55.840
Base-Backbone interact. energy: -0.055
local terms energy: -69.496840
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -12.541
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: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -99.306872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.306872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.306872 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -37.103
Base-Backbone interact. energy: -0.092
local terms energy: -57.667656
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -3.717
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: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -124.872908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.872908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.872908 (E_RNA)
where:
Base-Base interactions energy: -88.558
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.043
local terms energy: -36.272632
where:
bonds (distance) C4'-P energy: -8.289
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -4.443
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -81.760791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760791 (E_RNA)
where:
Base-Base interactions energy: -28.984
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.200
local terms energy: -52.577519
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -85.087814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.087814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.087814 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -32.816
Base-Backbone interact. energy: -0.443
local terms energy: -51.829532
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -230.531014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.531014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.531014 (E_RNA)
where:
Base-Base interactions energy: -152.966
where: short stacking energy: -72.056
Base-Backbone interact. energy: -0.005
local terms energy: -77.560426
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -21.044
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: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -230.145816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.145816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.145816 (E_RNA)
where:
Base-Base interactions energy: -149.801
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.007
local terms energy: -80.338270
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -226.661868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.661868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.661868 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.180
local terms energy: -74.552416
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -223.612659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.612659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.612659 (E_RNA)
where:
Base-Base interactions energy: -151.466
where: short stacking energy: -75.734
Base-Backbone interact. energy: -0.174
local terms energy: -71.972331
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -221.115730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.115730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.115730 (E_RNA)
where:
Base-Base interactions energy: -153.501
where: short stacking energy: -80.179
Base-Backbone interact. energy: -0.021
local terms energy: -67.594077
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -3.344
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -210.473839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.473839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.473839 (E_RNA)
where:
Base-Base interactions energy: -136.947
where: short stacking energy: -58.454
Base-Backbone interact. energy: -1.083
local terms energy: -72.444408
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -113.255325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.255325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.255325 (E_RNA)
where:
Base-Base interactions energy: -52.801
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.453
local terms energy: -60.000962
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -12.294
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: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -94.290006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.290006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.290006 (E_RNA)
where:
Base-Base interactions energy: -44.683
where: short stacking energy: -29.593
Base-Backbone interact. energy: -0.072
local terms energy: -49.535386
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: 0.098
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -73.304958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.304958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.304958 (E_RNA)
where:
Base-Base interactions energy: -25.624
where: short stacking energy: -23.978
Base-Backbone interact. energy: 0.671
local terms energy: -48.351673
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -74.385815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.385815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.385815 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -29.484
Base-Backbone interact. energy: -0.334
local terms energy: -41.013264
where:
bonds (distance) C4'-P energy: -6.760
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -238.557361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.557361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.557361 (E_RNA)
where:
Base-Base interactions energy: -159.640
where: short stacking energy: -74.433
Base-Backbone interact. energy: -0.001
local terms energy: -78.916234
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -227.482024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.482024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.482024 (E_RNA)
where:
Base-Base interactions energy: -154.683
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.146
local terms energy: -72.652849
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -225.196381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.196381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.196381 (E_RNA)
where:
Base-Base interactions energy: -148.418
where: short stacking energy: -74.374
Base-Backbone interact. energy: 0.200
local terms energy: -76.978355
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -11.769
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -219.954682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.954682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.954682 (E_RNA)
where:
Base-Base interactions energy: -143.293
where: short stacking energy: -66.542
Base-Backbone interact. energy: -0.002
local terms energy: -76.659220
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.498
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: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -221.651963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.651963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.651963 (E_RNA)
where:
Base-Base interactions energy: -145.625
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.058
local terms energy: -75.969308
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -207.715069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.715069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.715069 (E_RNA)
where:
Base-Base interactions energy: -143.729
where: short stacking energy: -64.509
Base-Backbone interact. energy: -0.018
local terms energy: -63.968047
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -87.053221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.053221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.053221 (E_RNA)
where:
Base-Base interactions energy: -36.299
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.140
local terms energy: -50.614269
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -88.475472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.475472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.475472 (E_RNA)
where:
Base-Base interactions energy: -40.832
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.059
local terms energy: -47.585388
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -81.492048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.492048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.492048 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.367
local terms energy: -46.605362
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -1.968
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -81.007074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.007074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.007074 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -26.031
Base-Backbone interact. energy: -0.312
local terms energy: -54.663799
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -11.978
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: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -232.654936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.654936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.654936 (E_RNA)
where:
Base-Base interactions energy: -152.578
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.005
local terms energy: -80.072564
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -21.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -228.608826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.608826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.608826 (E_RNA)
where:
Base-Base interactions energy: -145.385
where: short stacking energy: -69.253
Base-Backbone interact. energy: -0.001
local terms energy: -83.222657
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -10.975
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: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -228.953847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.953847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.953847 (E_RNA)
where:
Base-Base interactions energy: -149.487
where: short stacking energy: -69.562
Base-Backbone interact. energy: -0.152
local terms energy: -79.315053
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -216.561895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.561895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.561895 (E_RNA)
where:
Base-Base interactions energy: -137.814
where: short stacking energy: -71.629
Base-Backbone interact. energy: -0.003
local terms energy: -78.744251
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -211.871947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.871947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.871947 (E_RNA)
where:
Base-Base interactions energy: -137.400
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.298
local terms energy: -74.173845
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -200.648466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.648466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.648466 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.048
local terms energy: -71.353035
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -91.735315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735315 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -30.027
Base-Backbone interact. energy: -0.013
local terms energy: -54.841998
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -99.978193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.978193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.978193 (E_RNA)
where:
Base-Base interactions energy: -49.106
where: short stacking energy: -30.606
Base-Backbone interact. energy: 0.201
local terms energy: -51.073126
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -79.074813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.074813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.074813 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.211
local terms energy: -44.404300
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -5.168
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -69.800034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.800034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.800034 (E_RNA)
where:
Base-Base interactions energy: -21.660
where: short stacking energy: -21.660
Base-Backbone interact. energy: -0.131
local terms energy: -48.008609
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.120
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: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -239.291188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.291188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.291188 (E_RNA)
where:
Base-Base interactions energy: -157.969
where: short stacking energy: -74.674
Base-Backbone interact. energy: -0.047
local terms energy: -81.274869
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -239.021591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.021591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.021591 (E_RNA)
where:
Base-Base interactions energy: -155.481
where: short stacking energy: -75.605
Base-Backbone interact. energy: -0.032
local terms energy: -83.507996
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -21.575
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: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -226.084935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.084935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.084935 (E_RNA)
where:
Base-Base interactions energy: -154.488
where: short stacking energy: -71.761
Base-Backbone interact. energy: -0.130
local terms energy: -71.467207
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -19.168
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: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -232.502211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.502211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.502211 (E_RNA)
where:
Base-Base interactions energy: -146.292
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.003
local terms energy: -86.206761
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -13.090
tors. eta vs tors. theta energy: -23.718
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: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -207.128835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.128835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.128835 (E_RNA)
where:
Base-Base interactions energy: -136.016
where: short stacking energy: -62.648
Base-Backbone interact. energy: -0.162
local terms energy: -70.950448
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -216.391000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.391000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.391000 (E_RNA)
where:
Base-Base interactions energy: -146.176
where: short stacking energy: -73.499
Base-Backbone interact. energy: 0.215
local terms energy: -70.429569
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -85.965644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.965644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.965644 (E_RNA)
where:
Base-Base interactions energy: -33.113
where: short stacking energy: -33.113
Base-Backbone interact. energy: 0.496
local terms energy: -53.348052
where:
bonds (distance) C4'-P energy: -6.555
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -87.100375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.100375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.100375 (E_RNA)
where:
Base-Base interactions energy: -42.997
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.352
local terms energy: -43.751603
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -79.233987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.233987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.233987 (E_RNA)
where:
Base-Base interactions energy: -29.532
where: short stacking energy: -29.532
Base-Backbone interact. energy: -0.183
local terms energy: -49.518256
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -88.867060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.867060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.867060 (E_RNA)
where:
Base-Base interactions energy: -39.003
where: short stacking energy: -27.537
Base-Backbone interact. energy: -1.010
local terms energy: -48.854252
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -6.447
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: 413
Temperature: 0.900000
Total energy: -238.419803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.419803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.419803 (E_RNA)
where:
Base-Base interactions energy: -157.653
where: short stacking energy: -73.516
Base-Backbone interact. energy: -0.062
local terms energy: -80.704199
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -23.345
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: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -229.603342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.603342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.603342 (E_RNA)
where:
Base-Base interactions energy: -149.682
where: short stacking energy: -75.767
Base-Backbone interact. energy: -0.001
local terms energy: -79.920557
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -21.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -229.494311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.494311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.494311 (E_RNA)
where:
Base-Base interactions energy: -146.565
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.282
local terms energy: -82.647115
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -219.232143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.232143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.232143 (E_RNA)
where:
Base-Base interactions energy: -150.498
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.392
local terms energy: -68.342428
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -216.642745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.642745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.642745 (E_RNA)
where:
Base-Base interactions energy: -144.345
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.011
local terms energy: -72.287297
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -20.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -220.497384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.497384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.497384 (E_RNA)
where:
Base-Base interactions energy: -146.725
where: short stacking energy: -68.617
Base-Backbone interact. energy: -0.856
local terms energy: -72.916480
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -88.304645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.304645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.304645 (E_RNA)
where:
Base-Base interactions energy: -38.396
where: short stacking energy: -22.693
Base-Backbone interact. energy: -0.117
local terms energy: -49.791271
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -96.012771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.012771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.012771 (E_RNA)
where:
Base-Base interactions energy: -48.542
where: short stacking energy: -35.510
Base-Backbone interact. energy: -0.080
local terms energy: -47.391186
where:
bonds (distance) C4'-P energy: -6.362
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -8.694
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: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -100.827055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.827055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.827055 (E_RNA)
where:
Base-Base interactions energy: -52.246
where: short stacking energy: -23.533
Base-Backbone interact. energy: -0.449
local terms energy: -48.131455
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -81.481387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481387 (E_RNA)
where:
Base-Base interactions energy: -33.739
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.917
local terms energy: -46.824666
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: 1.743
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: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -234.792600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.792600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.792600 (E_RNA)
where:
Base-Base interactions energy: -154.463
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.673
local terms energy: -79.655906
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -223.819486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.819486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.819486 (E_RNA)
where:
Base-Base interactions energy: -143.308
where: short stacking energy: -73.164
Base-Backbone interact. energy: -0.027
local terms energy: -80.484273
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -230.296496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.296496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.296496 (E_RNA)
where:
Base-Base interactions energy: -154.608
where: short stacking energy: -69.202
Base-Backbone interact. energy: -0.024
local terms energy: -75.664245
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -223.822905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.822905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.822905 (E_RNA)
where:
Base-Base interactions energy: -143.508
where: short stacking energy: -71.806
Base-Backbone interact. energy: -0.006
local terms energy: -80.309614
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -19.941
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: 414
Temperature: 1.100000
Total energy: -214.098259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.098259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.098259 (E_RNA)
where:
Base-Base interactions energy: -136.940
where: short stacking energy: -65.382
Base-Backbone interact. energy: -0.024
local terms energy: -77.133928
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -211.712279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.712279 (E_RNA)
where:
Base-Base interactions energy: -142.773
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.721
local terms energy: -68.218530
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -18.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -96.508937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.508937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.508937 (E_RNA)
where:
Base-Base interactions energy: -50.822
where: short stacking energy: -25.231
Base-Backbone interact. energy: -0.139
local terms energy: -45.548273
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -4.862
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -115.236716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.236716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.236716 (E_RNA)
where:
Base-Base interactions energy: -61.114
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.361
local terms energy: -53.761603
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -5.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -86.117396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.117396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.117396 (E_RNA)
where:
Base-Base interactions energy: -43.544
where: short stacking energy: -31.727
Base-Backbone interact. energy: -0.129
local terms energy: -42.444612
where:
bonds (distance) C4'-P energy: -6.423
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -11.777
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: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -79.975127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.975127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.975127 (E_RNA)
where:
Base-Base interactions energy: -32.994
where: short stacking energy: -33.394
Base-Backbone interact. energy: 0.117
local terms energy: -47.098194
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -5.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -237.295721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.295721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.295721 (E_RNA)
where:
Base-Base interactions energy: -159.158
where: short stacking energy: -72.359
Base-Backbone interact. energy: 2.277
local terms energy: -80.414177
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -232.560318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.560318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.560318 (E_RNA)
where:
Base-Base interactions energy: -152.512
where: short stacking energy: -72.670
Base-Backbone interact. energy: -0.219
local terms energy: -79.829310
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -19.233
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: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -217.923356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.923356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.923356 (E_RNA)
where:
Base-Base interactions energy: -147.113
where: short stacking energy: -73.273
Base-Backbone interact. energy: -0.002
local terms energy: -70.808745
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -5.403
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -14.416
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: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -220.964655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.964655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.964655 (E_RNA)
where:
Base-Base interactions energy: -146.644
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.789
local terms energy: -73.531571
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -12.683
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: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -214.262279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262279 (E_RNA)
where:
Base-Base interactions energy: -146.908
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.062
local terms energy: -67.291867
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -200.220685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.220685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.220685 (E_RNA)
where:
Base-Base interactions energy: -135.953
where: short stacking energy: -60.371
Base-Backbone interact. energy: -0.403
local terms energy: -63.865126
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -99.444593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.444593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.444593 (E_RNA)
where:
Base-Base interactions energy: -52.617
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.581
local terms energy: -46.246756
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -99.201214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.201214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.201214 (E_RNA)
where:
Base-Base interactions energy: -43.323
where: short stacking energy: -43.323
Base-Backbone interact. energy: -0.090
local terms energy: -55.788511
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -5.693
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: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -79.928629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.928629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.928629 (E_RNA)
where:
Base-Base interactions energy: -43.108
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.388
local terms energy: -36.432330
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: 2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -76.220521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.220521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.220521 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.167
local terms energy: -39.461194
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -7.839
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: 2.608
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: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -229.625958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.625958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.625958 (E_RNA)
where:
Base-Base interactions energy: -148.766
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.003
local terms energy: -80.856758
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -22.085
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -229.334234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.334234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.334234 (E_RNA)
where:
Base-Base interactions energy: -149.902
where: short stacking energy: -73.589
Base-Backbone interact. energy: -0.009
local terms energy: -79.422643
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -223.687552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.687552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.687552 (E_RNA)
where:
Base-Base interactions energy: -146.907
where: short stacking energy: -67.309
Base-Backbone interact. energy: -0.268
local terms energy: -76.512501
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -224.473594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.473594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.473594 (E_RNA)
where:
Base-Base interactions energy: -145.181
where: short stacking energy: -72.480
Base-Backbone interact. energy: -0.257
local terms energy: -79.034880
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -19.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -220.079955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.079955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.079955 (E_RNA)
where:
Base-Base interactions energy: -144.966
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.026
local terms energy: -75.088549
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -200.637578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.637578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.637578 (E_RNA)
where:
Base-Base interactions energy: -129.020
where: short stacking energy: -53.177
Base-Backbone interact. energy: 0.008
local terms energy: -71.626186
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -15.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -104.363360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.363360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.363360 (E_RNA)
where:
Base-Base interactions energy: -59.876
where: short stacking energy: -35.353
Base-Backbone interact. energy: -0.824
local terms energy: -43.663290
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -5.291
tors. eta vs tors. theta energy: 1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -87.406856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.406856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.406856 (E_RNA)
where:
Base-Base interactions energy: -33.076
where: short stacking energy: -29.538
Base-Backbone interact. energy: -0.361
local terms energy: -53.969043
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -81.470850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.470850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.470850 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -28.664
Base-Backbone interact. energy: 0.503
local terms energy: -45.887269
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -3.935
tors. eta vs tors. theta energy: 0.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -77.223853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.223853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.223853 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -25.525
Base-Backbone interact. energy: -0.337
local terms energy: -47.916740
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -5.881
flat angles P-C4'-P energy: -10.072
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: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -229.750052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.750052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.750052 (E_RNA)
where:
Base-Base interactions energy: -151.350
where: short stacking energy: -74.171
Base-Backbone interact. energy: -0.005
local terms energy: -78.394540
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -229.526170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.526170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.526170 (E_RNA)
where:
Base-Base interactions energy: -154.905
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.145
local terms energy: -74.476304
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -230.410920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.410920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.410920 (E_RNA)
where:
Base-Base interactions energy: -154.866
where: short stacking energy: -75.165
Base-Backbone interact. energy: -0.489
local terms energy: -75.055622
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -224.281641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.281641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.281641 (E_RNA)
where:
Base-Base interactions energy: -155.565
where: short stacking energy: -72.463
Base-Backbone interact. energy: -0.020
local terms energy: -68.696134
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -205.131181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.131181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.131181 (E_RNA)
where:
Base-Base interactions energy: -132.509
where: short stacking energy: -61.221
Base-Backbone interact. energy: -0.134
local terms energy: -72.487834
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -16.098
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: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -163.405146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.405146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.405146 (E_RNA)
where:
Base-Base interactions energy: -94.258
where: short stacking energy: -43.040
Base-Backbone interact. energy: -0.056
local terms energy: -69.090876
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -8.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -101.166170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.166170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.166170 (E_RNA)
where:
Base-Base interactions energy: -46.489
where: short stacking energy: -37.657
Base-Backbone interact. energy: -0.178
local terms energy: -54.499420
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -102.652995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.652995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.652995 (E_RNA)
where:
Base-Base interactions energy: -44.596
where: short stacking energy: -41.575
Base-Backbone interact. energy: 0.556
local terms energy: -58.612286
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -81.974869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974869 (E_RNA)
where:
Base-Base interactions energy: -37.630
where: short stacking energy: -32.546
Base-Backbone interact. energy: -0.140
local terms energy: -44.204908
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -90.278358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.278358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.278358 (E_RNA)
where:
Base-Base interactions energy: -43.573
where: short stacking energy: -24.760
Base-Backbone interact. energy: -0.263
local terms energy: -46.441901
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -10.695
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: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -240.626415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.626415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.626415 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.216
local terms energy: -84.040925
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -234.328983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.328983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.328983 (E_RNA)
where:
Base-Base interactions energy: -157.918
where: short stacking energy: -72.334
Base-Backbone interact. energy: -0.001
local terms energy: -76.409927
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -226.155807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.155807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.155807 (E_RNA)
where:
Base-Base interactions energy: -147.392
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.003
local terms energy: -78.761201
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -219.658063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.658063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.658063 (E_RNA)
where:
Base-Base interactions energy: -148.963
where: short stacking energy: -72.617
Base-Backbone interact. energy: -0.239
local terms energy: -70.456868
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -20.268
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: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -189.618118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.618118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.618118 (E_RNA)
where:
Base-Base interactions energy: -131.998
where: short stacking energy: -65.972
Base-Backbone interact. energy: -0.003
local terms energy: -57.616472
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -9.511
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: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -172.527415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.527415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.527415 (E_RNA)
where:
Base-Base interactions energy: -108.235
where: short stacking energy: -45.354
Base-Backbone interact. energy: -0.684
local terms energy: -63.608566
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -100.728328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.728328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.728328 (E_RNA)
where:
Base-Base interactions energy: -48.131
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.002
local terms energy: -52.594726
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -76.020728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.020728 (E_RNA)
where:
Base-Base interactions energy: -30.628
where: short stacking energy: -19.886
Base-Backbone interact. energy: -0.114
local terms energy: -45.278855
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -80.120263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.120263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.120263 (E_RNA)
where:
Base-Base interactions energy: -23.782
where: short stacking energy: -23.782
Base-Backbone interact. energy: -0.171
local terms energy: -56.167320
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -87.694607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.694607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.694607 (E_RNA)
where:
Base-Base interactions energy: -43.792
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.109
local terms energy: -43.793824
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -7.168
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -232.618027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.618027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.618027 (E_RNA)
where:
Base-Base interactions energy: -148.978
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.010
local terms energy: -83.629653
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -22.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -219.968122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.968122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.968122 (E_RNA)
where:
Base-Base interactions energy: -143.358
where: short stacking energy: -69.842
Base-Backbone interact. energy: -0.010
local terms energy: -76.600485
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -230.848390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.848390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.848390 (E_RNA)
where:
Base-Base interactions energy: -153.125
where: short stacking energy: -75.884
Base-Backbone interact. energy: -0.254
local terms energy: -77.469590
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -223.835110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.835110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.835110 (E_RNA)
where:
Base-Base interactions energy: -151.254
where: short stacking energy: -70.596
Base-Backbone interact. energy: -0.000
local terms energy: -72.581326
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -10.471
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: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -203.797567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.797567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.797567 (E_RNA)
where:
Base-Base interactions energy: -140.722
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.871
local terms energy: -62.204956
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -173.316927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.316927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.316927 (E_RNA)
where:
Base-Base interactions energy: -110.444
where: short stacking energy: -45.453
Base-Backbone interact. energy: -0.038
local terms energy: -62.835293
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -91.145207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.145207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.145207 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.971
local terms energy: -50.928284
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -8.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -81.088436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.088436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.088436 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -24.853
Base-Backbone interact. energy: -0.039
local terms energy: -47.921215
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -9.854
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -109.311665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.311665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.311665 (E_RNA)
where:
Base-Base interactions energy: -53.910
where: short stacking energy: -34.389
Base-Backbone interact. energy: -0.503
local terms energy: -54.898341
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -83.762616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762616 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -34.906
Base-Backbone interact. energy: -0.084
local terms energy: -48.632085
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -231.486334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.486334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.486334 (E_RNA)
where:
Base-Base interactions energy: -154.567
where: short stacking energy: -72.294
Base-Backbone interact. energy: -0.040
local terms energy: -76.879846
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -19.883
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -238.127140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.127140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.127140 (E_RNA)
where:
Base-Base interactions energy: -155.145
where: short stacking energy: -73.528
Base-Backbone interact. energy: -0.000
local terms energy: -82.982116
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -214.126381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.126381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.126381 (E_RNA)
where:
Base-Base interactions energy: -138.314
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.002
local terms energy: -75.810679
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -223.361766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.361766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.361766 (E_RNA)
where:
Base-Base interactions energy: -147.620
where: short stacking energy: -71.993
Base-Backbone interact. energy: -0.039
local terms energy: -75.702530
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.209
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: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -210.571274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.571274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.571274 (E_RNA)
where:
Base-Base interactions energy: -141.947
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.142
local terms energy: -68.482607
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -181.545521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.545521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.545521 (E_RNA)
where:
Base-Base interactions energy: -120.066
where: short stacking energy: -57.468
Base-Backbone interact. energy: -0.048
local terms energy: -61.431392
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.318
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: 7, replica: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -94.358927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.358927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.358927 (E_RNA)
where:
Base-Base interactions energy: -36.386
where: short stacking energy: -36.386
Base-Backbone interact. energy: -0.067
local terms energy: -57.905914
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -8.880
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: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -107.890875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.890875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.890875 (E_RNA)
where:
Base-Base interactions energy: -59.311
where: short stacking energy: -33.012
Base-Backbone interact. energy: -0.286
local terms energy: -48.293703
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -86.596416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596416 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.108
local terms energy: -57.681462
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -7.778
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -72.322840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.322840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.322840 (E_RNA)
where:
Base-Base interactions energy: -28.882
where: short stacking energy: -23.300
Base-Backbone interact. energy: 1.725
local terms energy: -45.165584
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: 1.736
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: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -240.090510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.090510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.090510 (E_RNA)
where:
Base-Base interactions energy: -153.591
where: short stacking energy: -74.632
Base-Backbone interact. energy: -0.437
local terms energy: -86.062287
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -22.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -236.254066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.254066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.254066 (E_RNA)
where:
Base-Base interactions energy: -158.123
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.345
local terms energy: -77.786567
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -21.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -223.538755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538755 (E_RNA)
where:
Base-Base interactions energy: -146.732
where: short stacking energy: -67.875
Base-Backbone interact. energy: -0.470
local terms energy: -76.337030
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -20.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -214.586946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.586946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.586946 (E_RNA)
where:
Base-Base interactions energy: -140.173
where: short stacking energy: -68.579
Base-Backbone interact. energy: -0.461
local terms energy: -73.953332
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -209.574363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.574363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.574363 (E_RNA)
where:
Base-Base interactions energy: -136.558
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.082
local terms energy: -72.933969
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -178.115092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.115092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.115092 (E_RNA)
where:
Base-Base interactions energy: -116.929
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.005
local terms energy: -61.180589
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -107.221587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.221587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.221587 (E_RNA)
where:
Base-Base interactions energy: -55.254
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.405
local terms energy: -51.563313
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -126.870530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.870530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.870530 (E_RNA)
where:
Base-Base interactions energy: -81.488
where: short stacking energy: -35.375
Base-Backbone interact. energy: -0.232
local terms energy: -45.151204
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -3.480
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: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -83.478451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.478451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.478451 (E_RNA)
where:
Base-Base interactions energy: -33.095
where: short stacking energy: -26.518
Base-Backbone interact. energy: -0.146
local terms energy: -50.237115
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -78.379249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.379249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.379249 (E_RNA)
where:
Base-Base interactions energy: -35.488
where: short stacking energy: -24.679
Base-Backbone interact. energy: 1.338
local terms energy: -44.228738
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -235.094487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.094487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.094487 (E_RNA)
where:
Base-Base interactions energy: -157.585
where: short stacking energy: -75.371
Base-Backbone interact. energy: -0.128
local terms energy: -77.381694
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -229.686293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.686293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.686293 (E_RNA)
where:
Base-Base interactions energy: -150.480
where: short stacking energy: -69.473
Base-Backbone interact. energy: -0.127
local terms energy: -79.079389
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -22.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -222.656094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.656094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.656094 (E_RNA)
where:
Base-Base interactions energy: -143.269
where: short stacking energy: -68.197
Base-Backbone interact. energy: 0.422
local terms energy: -79.809143
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.495
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: 422
Temperature: 1.050000
Total energy: -229.142721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.142721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.142721 (E_RNA)
where:
Base-Base interactions energy: -158.963
where: short stacking energy: -71.891
Base-Backbone interact. energy: 0.496
local terms energy: -70.675757
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -221.294125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.294125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.294125 (E_RNA)
where:
Base-Base interactions energy: -148.782
where: short stacking energy: -71.980
Base-Backbone interact. energy: -0.149
local terms energy: -72.362811
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -201.940572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.940572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.940572 (E_RNA)
where:
Base-Base interactions energy: -136.356
where: short stacking energy: -62.302
Base-Backbone interact. energy: -0.586
local terms energy: -64.998409
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -11.233
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: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -147.170092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.170092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.170092 (E_RNA)
where:
Base-Base interactions energy: -91.782
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.536
local terms energy: -54.852102
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -7.637
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: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -83.929833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929833 (E_RNA)
where:
Base-Base interactions energy: -44.888
where: short stacking energy: -30.089
Base-Backbone interact. energy: -0.605
local terms energy: -38.437217
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: 2.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -90.270584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.270584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.270584 (E_RNA)
where:
Base-Base interactions energy: -43.208
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.784
local terms energy: -46.278118
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -75.767712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.767712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.767712 (E_RNA)
where:
Base-Base interactions energy: -22.664
where: short stacking energy: -22.664
Base-Backbone interact. energy: 0.155
local terms energy: -53.258670
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -3.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -236.510969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.510969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.510969 (E_RNA)
where:
Base-Base interactions energy: -160.477
where: short stacking energy: -70.200
Base-Backbone interact. energy: -0.001
local terms energy: -76.033212
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -237.462934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.462934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.462934 (E_RNA)
where:
Base-Base interactions energy: -159.819
where: short stacking energy: -73.534
Base-Backbone interact. energy: -0.222
local terms energy: -77.422640
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -206.277120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.277120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.277120 (E_RNA)
where:
Base-Base interactions energy: -128.155
where: short stacking energy: -56.131
Base-Backbone interact. energy: -0.007
local terms energy: -78.114895
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -18.120
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: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -231.712813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.712813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.712813 (E_RNA)
where:
Base-Base interactions energy: -154.239
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.254
local terms energy: -77.219837
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -219.479935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.479935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.479935 (E_RNA)
where:
Base-Base interactions energy: -145.318
where: short stacking energy: -70.620
Base-Backbone interact. energy: -0.066
local terms energy: -74.096432
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -17.781
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: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -208.785578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.785578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.785578 (E_RNA)
where:
Base-Base interactions energy: -136.210
where: short stacking energy: -65.448
Base-Backbone interact. energy: -0.001
local terms energy: -72.573820
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -141.352356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.352356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.352356 (E_RNA)
where:
Base-Base interactions energy: -77.421
where: short stacking energy: -33.509
Base-Backbone interact. energy: -0.234
local terms energy: -63.696894
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -8.128
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: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -84.019289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019289 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -28.254
Base-Backbone interact. energy: -0.786
local terms energy: -46.035600
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -84.855707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.855707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.855707 (E_RNA)
where:
Base-Base interactions energy: -36.143
where: short stacking energy: -27.945
Base-Backbone interact. energy: -0.142
local terms energy: -48.571300
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -4.450
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: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -93.483501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.483501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.483501 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.163
local terms energy: -54.320411
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -230.477205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.477205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.477205 (E_RNA)
where:
Base-Base interactions energy: -157.614
where: short stacking energy: -72.060
Base-Backbone interact. energy: -0.002
local terms energy: -72.861154
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -9.919
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: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -233.408487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.408487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.408487 (E_RNA)
where:
Base-Base interactions energy: -157.703
where: short stacking energy: -73.969
Base-Backbone interact. energy: -0.008
local terms energy: -75.696797
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -227.998551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.998551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.998551 (E_RNA)
where:
Base-Base interactions energy: -150.782
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.242
local terms energy: -76.974334
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -218.562171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.562171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.562171 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.090
local terms energy: -77.306974
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -219.984127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.984127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.984127 (E_RNA)
where:
Base-Base interactions energy: -140.662
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.017
local terms energy: -79.304828
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -210.129329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.129329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.129329 (E_RNA)
where:
Base-Base interactions energy: -139.226
where: short stacking energy: -58.810
Base-Backbone interact. energy: -0.280
local terms energy: -70.623552
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -134.968295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.968295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.968295 (E_RNA)
where:
Base-Base interactions energy: -68.159
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.136
local terms energy: -66.673595
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -87.181459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.181459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.181459 (E_RNA)
where:
Base-Base interactions energy: -37.247
where: short stacking energy: -34.101
Base-Backbone interact. energy: -0.589
local terms energy: -49.345907
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -80.371030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.371030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.371030 (E_RNA)
where:
Base-Base interactions energy: -30.150
where: short stacking energy: -27.977
Base-Backbone interact. energy: -0.121
local terms energy: -50.099316
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -3.799
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: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -77.220905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.220905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.220905 (E_RNA)
where:
Base-Base interactions energy: -29.691
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.030
local terms energy: -47.500756
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.982
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: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -229.518791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.518791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.518791 (E_RNA)
where:
Base-Base interactions energy: -153.926
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.086
local terms energy: -75.507436
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -234.068023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.068023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.068023 (E_RNA)
where:
Base-Base interactions energy: -156.725
where: short stacking energy: -71.304
Base-Backbone interact. energy: -0.002
local terms energy: -77.340715
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -216.317073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.317073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.317073 (E_RNA)
where:
Base-Base interactions energy: -146.074
where: short stacking energy: -65.249
Base-Backbone interact. energy: -0.067
local terms energy: -70.176447
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -226.850411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.850411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.850411 (E_RNA)
where:
Base-Base interactions energy: -152.708
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.578
local terms energy: -73.564076
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -10.821
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: 425
Temperature: 1.100000
Total energy: -225.221843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221843 (E_RNA)
where:
Base-Base interactions energy: -154.981
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.242
local terms energy: -69.998775
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -213.738526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.738526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.738526 (E_RNA)
where:
Base-Base interactions energy: -138.491
where: short stacking energy: -66.698
Base-Backbone interact. energy: 0.355
local terms energy: -75.602816
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -127.120970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.120970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.120970 (E_RNA)
where:
Base-Base interactions energy: -75.142
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.247
local terms energy: -51.732032
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -8.595
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -83.340400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.340400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.340400 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -37.890
Base-Backbone interact. energy: -0.166
local terms energy: -44.427820
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -6.775
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -77.785777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.785777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.785777 (E_RNA)
where:
Base-Base interactions energy: -30.796
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.061
local terms energy: -46.929300
where:
bonds (distance) C4'-P energy: -5.780
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.837
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: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -77.117796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.117796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.117796 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -17.933
Base-Backbone interact. energy: 0.725
local terms energy: -41.596414
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: 6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -236.869543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.869543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.869543 (E_RNA)
where:
Base-Base interactions energy: -152.050
where: short stacking energy: -74.365
Base-Backbone interact. energy: -0.011
local terms energy: -84.808155
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -231.582782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.582782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.582782 (E_RNA)
where:
Base-Base interactions energy: -157.449
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.006
local terms energy: -74.127985
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -221.333538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.333538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.333538 (E_RNA)
where:
Base-Base interactions energy: -139.799
where: short stacking energy: -70.341
Base-Backbone interact. energy: -0.156
local terms energy: -81.378787
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -18.585
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: 6
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -226.277118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.277118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.277118 (E_RNA)
where:
Base-Base interactions energy: -155.185
where: short stacking energy: -73.043
Base-Backbone interact. energy: -0.242
local terms energy: -70.850290
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -22.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -222.517214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.517214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.517214 (E_RNA)
where:
Base-Base interactions energy: -147.123
where: short stacking energy: -65.570
Base-Backbone interact. energy: -0.001
local terms energy: -75.393962
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -214.714832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.714832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.714832 (E_RNA)
where:
Base-Base interactions energy: -143.370
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.039
local terms energy: -71.305963
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -87.988952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.988952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.988952 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -33.569
Base-Backbone interact. energy: -0.321
local terms energy: -49.826036
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -4.970
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: 426
Temperature: 1.250000
Total energy: -85.485597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485597 (E_RNA)
where:
Base-Base interactions energy: -28.472
where: short stacking energy: -28.472
Base-Backbone interact. energy: -0.180
local terms energy: -56.834041
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -80.226550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.226550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.226550 (E_RNA)
where:
Base-Base interactions energy: -36.479
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.405
local terms energy: -43.342523
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -88.880111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880111 (E_RNA)
where:
Base-Base interactions energy: -38.001
where: short stacking energy: -37.820
Base-Backbone interact. energy: -0.005
local terms energy: -50.874097
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -232.896735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.896735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.896735 (E_RNA)
where:
Base-Base interactions energy: -161.619
where: short stacking energy: -70.535
Base-Backbone interact. energy: 1.251
local terms energy: -72.529330
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -224.166148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.166148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.166148 (E_RNA)
where:
Base-Base interactions energy: -140.276
where: short stacking energy: -65.448
Base-Backbone interact. energy: -0.005
local terms energy: -83.884786
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -225.383076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.383076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.383076 (E_RNA)
where:
Base-Base interactions energy: -148.353
where: short stacking energy: -66.923
Base-Backbone interact. energy: -0.006
local terms energy: -77.023852
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -223.110100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.110100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.110100 (E_RNA)
where:
Base-Base interactions energy: -153.112
where: short stacking energy: -69.083
Base-Backbone interact. energy: -0.344
local terms energy: -69.654047
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -18.888
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: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -215.813725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.813725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.813725 (E_RNA)
where:
Base-Base interactions energy: -139.947
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.802
local terms energy: -75.064776
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -214.324120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.324120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.324120 (E_RNA)
where:
Base-Base interactions energy: -145.054
where: short stacking energy: -63.795
Base-Backbone interact. energy: -0.005
local terms energy: -69.264201
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -17.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -94.923002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.923002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.923002 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -32.786
Base-Backbone interact. energy: -0.436
local terms energy: -61.601209
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -6.949
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: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -88.207739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.207739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.207739 (E_RNA)
where:
Base-Base interactions energy: -34.991
where: short stacking energy: -27.894
Base-Backbone interact. energy: -0.094
local terms energy: -53.122960
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -2.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -85.311606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.311606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.311606 (E_RNA)
where:
Base-Base interactions energy: -38.295
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.068
local terms energy: -46.948653
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: -1.972
tors. eta vs tors. theta energy: -5.118
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: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -80.377340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.377340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.377340 (E_RNA)
where:
Base-Base interactions energy: -39.556
where: short stacking energy: -31.428
Base-Backbone interact. energy: -0.718
local terms energy: -40.104011
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: 1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -239.100738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.100738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.100738 (E_RNA)
where:
Base-Base interactions energy: -160.997
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.501
local terms energy: -77.602724
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -220.027589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.027589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.027589 (E_RNA)
where:
Base-Base interactions energy: -144.558
where: short stacking energy: -65.570
Base-Backbone interact. energy: -0.326
local terms energy: -75.143534
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -220.022004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.022004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.022004 (E_RNA)
where:
Base-Base interactions energy: -149.168
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.027
local terms energy: -70.827495
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.988
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: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -212.962756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.962756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.962756 (E_RNA)
where:
Base-Base interactions energy: -142.304
where: short stacking energy: -62.355
Base-Backbone interact. energy: -0.049
local terms energy: -70.609545
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -16.381
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: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -216.254833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.254833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.254833 (E_RNA)
where:
Base-Base interactions energy: -141.919
where: short stacking energy: -57.903
Base-Backbone interact. energy: -0.507
local terms energy: -73.828627
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -204.495876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.495876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.495876 (E_RNA)
where:
Base-Base interactions energy: -137.019
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.024
local terms energy: -67.452920
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -19.254
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: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -97.492830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.492830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.492830 (E_RNA)
where:
Base-Base interactions energy: -45.957
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.029
local terms energy: -51.506571
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -3.176
tors. eta vs tors. theta energy: -8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -87.426147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.426147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.426147 (E_RNA)
where:
Base-Base interactions energy: -44.435
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.305
local terms energy: -42.685668
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -94.826616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.826616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.826616 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -37.197
Base-Backbone interact. energy: -0.004
local terms energy: -57.625785
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -83.387828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.387828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.387828 (E_RNA)
where:
Base-Base interactions energy: -35.479
where: short stacking energy: -20.897
Base-Backbone interact. energy: 0.563
local terms energy: -48.472506
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -3.190
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -238.071008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.071008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.071008 (E_RNA)
where:
Base-Base interactions energy: -162.114
where: short stacking energy: -74.176
Base-Backbone interact. energy: -0.410
local terms energy: -75.546424
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -230.740064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.740064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.740064 (E_RNA)
where:
Base-Base interactions energy: -153.903
where: short stacking energy: -75.913
Base-Backbone interact. energy: -0.003
local terms energy: -76.834038
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -21.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -219.202158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.202158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.202158 (E_RNA)
where:
Base-Base interactions energy: -142.078
where: short stacking energy: -71.476
Base-Backbone interact. energy: 0.667
local terms energy: -77.792067
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -206.750058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.750058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.750058 (E_RNA)
where:
Base-Base interactions energy: -134.734
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.158
local terms energy: -71.858941
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -14.149
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: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -215.190867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.190867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.190867 (E_RNA)
where:
Base-Base interactions energy: -147.246
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.967
local terms energy: -66.977731
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -11.599
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -18.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -215.753463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.753463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.753463 (E_RNA)
where:
Base-Base interactions energy: -138.868
where: short stacking energy: -62.836
Base-Backbone interact. energy: -0.001
local terms energy: -76.884320
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -12.613
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: 7, replica: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -122.662676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.662676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.662676 (E_RNA)
where:
Base-Base interactions energy: -75.132
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.188
local terms energy: -47.341719
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -3.889
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: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -92.832099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.832099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.832099 (E_RNA)
where:
Base-Base interactions energy: -33.027
where: short stacking energy: -24.430
Base-Backbone interact. energy: -0.262
local terms energy: -59.542344
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -10.061
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: 429
Temperature: 1.300000
Total energy: -90.033805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.033805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.033805 (E_RNA)
where:
Base-Base interactions energy: -32.685
where: short stacking energy: -32.685
Base-Backbone interact. energy: -0.096
local terms energy: -57.252891
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -73.630809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.630809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.630809 (E_RNA)
where:
Base-Base interactions energy: -19.062
where: short stacking energy: -18.294
Base-Backbone interact. energy: -0.073
local terms energy: -54.495258
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -233.841142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.841142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.841142 (E_RNA)
where:
Base-Base interactions energy: -154.173
where: short stacking energy: -76.771
Base-Backbone interact. energy: 0.028
local terms energy: -79.696815
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -236.199898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.199898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.199898 (E_RNA)
where:
Base-Base interactions energy: -153.211
where: short stacking energy: -77.592
Base-Backbone interact. energy: -0.247
local terms energy: -82.742360
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -222.988031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.988031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.988031 (E_RNA)
where:
Base-Base interactions energy: -153.232
where: short stacking energy: -69.273
Base-Backbone interact. energy: -0.962
local terms energy: -68.794584
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -5.805
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -217.087133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.087133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.087133 (E_RNA)
where:
Base-Base interactions energy: -141.843
where: short stacking energy: -62.832
Base-Backbone interact. energy: -0.160
local terms energy: -75.084390
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -200.388671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.388671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.388671 (E_RNA)
where:
Base-Base interactions energy: -139.255
where: short stacking energy: -61.176
Base-Backbone interact. energy: 0.658
local terms energy: -61.791807
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -7.209
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: 6, replica: 1
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -218.853960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.853960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.853960 (E_RNA)
where:
Base-Base interactions energy: -151.649
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.068
local terms energy: -67.137004
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -101.960536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.960536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.960536 (E_RNA)
where:
Base-Base interactions energy: -46.115
where: short stacking energy: -23.867
Base-Backbone interact. energy: -0.263
local terms energy: -55.582655
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -0.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -116.735844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.735844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.735844 (E_RNA)
where:
Base-Base interactions energy: -73.881
where: short stacking energy: -30.772
Base-Backbone interact. energy: 0.552
local terms energy: -43.406078
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -2.076
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: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -82.885163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.885163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.885163 (E_RNA)
where:
Base-Base interactions energy: -45.471
where: short stacking energy: -35.275
Base-Backbone interact. energy: -0.162
local terms energy: -37.252237
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -6.148
flat angles C4'-P-C4' energy: -8.985
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -2.523
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: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -69.318732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.318732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.318732 (E_RNA)
where:
Base-Base interactions energy: -17.826
where: short stacking energy: -17.826
Base-Backbone interact. energy: -1.057
local terms energy: -50.436336
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -238.761665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.761665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.761665 (E_RNA)
where:
Base-Base interactions energy: -158.781
where: short stacking energy: -76.274
Base-Backbone interact. energy: 0.064
local terms energy: -80.044498
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -232.837434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.837434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.837434 (E_RNA)
where:
Base-Base interactions energy: -156.145
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.002
local terms energy: -76.690217
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -20.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -234.980663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.980663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.980663 (E_RNA)
where:
Base-Base interactions energy: -153.429
where: short stacking energy: -73.909
Base-Backbone interact. energy: -0.610
local terms energy: -80.941413
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -210.002703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.002703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.002703 (E_RNA)
where:
Base-Base interactions energy: -137.470
where: short stacking energy: -66.061
Base-Backbone interact. energy: -1.581
local terms energy: -70.952423
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -227.430321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.430321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.430321 (E_RNA)
where:
Base-Base interactions energy: -152.102
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.015
local terms energy: -75.312519
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -216.496924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.496924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.496924 (E_RNA)
where:
Base-Base interactions energy: -148.391
where: short stacking energy: -66.619
Base-Backbone interact. energy: -0.302
local terms energy: -67.803103
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -94.487630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.487630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.487630 (E_RNA)
where:
Base-Base interactions energy: -46.144
where: short stacking energy: -23.938
Base-Backbone interact. energy: -0.016
local terms energy: -48.327901
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -1.977
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: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -91.051036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.051036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.051036 (E_RNA)
where:
Base-Base interactions energy: -36.704
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.542
local terms energy: -53.805506
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -6.663
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: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -77.002235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.002235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.002235 (E_RNA)
where:
Base-Base interactions energy: -28.206
where: short stacking energy: -28.206
Base-Backbone interact. energy: 0.895
local terms energy: -49.691007
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -83.770248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.770248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.770248 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -22.681
Base-Backbone interact. energy: -0.165
local terms energy: -45.425020
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: 1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -235.967189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.967189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.967189 (E_RNA)
where:
Base-Base interactions energy: -156.710
where: short stacking energy: -67.648
Base-Backbone interact. energy: -0.675
local terms energy: -78.581916
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.697
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: 432
Temperature: 0.950000
Total energy: -232.445615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.445615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.445615 (E_RNA)
where:
Base-Base interactions energy: -158.222
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.214
local terms energy: -74.010375
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -231.791156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.791156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.791156 (E_RNA)
where:
Base-Base interactions energy: -152.154
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.156
local terms energy: -79.480507
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -13.495
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: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -227.459359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.459359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.459359 (E_RNA)
where:
Base-Base interactions energy: -152.812
where: short stacking energy: -74.154
Base-Backbone interact. energy: -0.080
local terms energy: -74.567458
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -22.339
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: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -216.574730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.574730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.574730 (E_RNA)
where:
Base-Base interactions energy: -145.175
where: short stacking energy: -71.083
Base-Backbone interact. energy: 0.506
local terms energy: -71.905441
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -5.420
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: 6, replica: 2
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -209.779409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.779409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.779409 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.737
local terms energy: -67.400733
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -118.126850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.126850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.126850 (E_RNA)
where:
Base-Base interactions energy: -64.755
where: short stacking energy: -29.250
Base-Backbone interact. energy: 0.858
local terms energy: -54.229253
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -89.664126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.664126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.664126 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.064
local terms energy: -46.980331
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -3.087
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -87.693068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.693068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.693068 (E_RNA)
where:
Base-Base interactions energy: -36.179
where: short stacking energy: -22.232
Base-Backbone interact. energy: -0.250
local terms energy: -51.264164
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -88.604298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.604298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.604298 (E_RNA)
where:
Base-Base interactions energy: -38.551
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.100
local terms energy: -49.952787
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -10.148
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: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -238.639159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.639159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.639159 (E_RNA)
where:
Base-Base interactions energy: -162.685
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.135
local terms energy: -75.818843
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -12.629
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: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -230.318460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.318460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.318460 (E_RNA)
where:
Base-Base interactions energy: -153.286
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.399
local terms energy: -76.633360
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -18.676
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -234.441202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.441202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.441202 (E_RNA)
where:
Base-Base interactions energy: -151.230
where: short stacking energy: -72.374
Base-Backbone interact. energy: -0.745
local terms energy: -82.465375
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -219.799879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799879 (E_RNA)
where:
Base-Base interactions energy: -148.412
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.083
local terms energy: -71.304448
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -220.139278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.139278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.139278 (E_RNA)
where:
Base-Base interactions energy: -144.477
where: short stacking energy: -69.784
Base-Backbone interact. energy: -0.575
local terms energy: -75.087521
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -19.697
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: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -207.049506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.049506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.049506 (E_RNA)
where:
Base-Base interactions energy: -142.133
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.329
local terms energy: -64.587842
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -8.880
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: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -134.217146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.217146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.217146 (E_RNA)
where:
Base-Base interactions energy: -73.049
where: short stacking energy: -46.357
Base-Backbone interact. energy: -0.265
local terms energy: -60.903193
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -104.006037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.006037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.006037 (E_RNA)
where:
Base-Base interactions energy: -49.450
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.119
local terms energy: -54.438022
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -91.200760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.200760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.200760 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -33.497
Base-Backbone interact. energy: -0.086
local terms energy: -50.826658
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -76.758717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.758717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.758717 (E_RNA)
where:
Base-Base interactions energy: -23.146
where: short stacking energy: -22.991
Base-Backbone interact. energy: 0.524
local terms energy: -54.136465
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -236.460158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.460158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.460158 (E_RNA)
where:
Base-Base interactions energy: -158.146
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.049
local terms energy: -78.265785
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -230.875548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.875548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.875548 (E_RNA)
where:
Base-Base interactions energy: -151.124
where: short stacking energy: -76.014
Base-Backbone interact. energy: -0.003
local terms energy: -79.749028
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -225.752529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.752529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.752529 (E_RNA)
where:
Base-Base interactions energy: -148.680
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.002
local terms energy: -77.070482
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -217.790872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.790872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.790872 (E_RNA)
where:
Base-Base interactions energy: -149.222
where: short stacking energy: -68.090
Base-Backbone interact. energy: -0.126
local terms energy: -68.443155
where:
bonds (distance) C4'-P energy: -8.460
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -19.322
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: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -221.167109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.167109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.167109 (E_RNA)
where:
Base-Base interactions energy: -143.115
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.633
local terms energy: -77.419132
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.496
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: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -207.684863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.684863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.684863 (E_RNA)
where:
Base-Base interactions energy: -138.910
where: short stacking energy: -64.606
Base-Backbone interact. energy: -0.008
local terms energy: -68.766709
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -96.822285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.822285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.822285 (E_RNA)
where:
Base-Base interactions energy: -47.799
where: short stacking energy: -23.429
Base-Backbone interact. energy: -0.573
local terms energy: -48.450189
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: 3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -121.325502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.325502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.325502 (E_RNA)
where:
Base-Base interactions energy: -70.478
where: short stacking energy: -37.081
Base-Backbone interact. energy: -0.435
local terms energy: -50.413382
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -82.078073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.078073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.078073 (E_RNA)
where:
Base-Base interactions energy: -25.160
where: short stacking energy: -25.160
Base-Backbone interact. energy: -0.023
local terms energy: -56.894718
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -81.237590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.237590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.237590 (E_RNA)
where:
Base-Base interactions energy: -28.540
where: short stacking energy: -19.420
Base-Backbone interact. energy: -0.493
local terms energy: -52.203884
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: 0.520
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: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -245.671814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.671814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.671814 (E_RNA)
where:
Base-Base interactions energy: -169.466
where: short stacking energy: -77.665
Base-Backbone interact. energy: -0.084
local terms energy: -76.122228
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -23.809
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: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -229.289470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.289470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.289470 (E_RNA)
where:
Base-Base interactions energy: -156.920
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.034
local terms energy: -72.335125
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -225.729821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.729821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.729821 (E_RNA)
where:
Base-Base interactions energy: -154.075
where: short stacking energy: -74.980
Base-Backbone interact. energy: -0.338
local terms energy: -71.316304
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -219.814361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.814361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.814361 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -68.213
Base-Backbone interact. energy: -0.004
local terms energy: -71.972631
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -10.772
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: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -218.820383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.820383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.820383 (E_RNA)
where:
Base-Base interactions energy: -146.782
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.017
local terms energy: -72.020666
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -18.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -212.534721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.534721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.534721 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -61.169
Base-Backbone interact. energy: -0.000
local terms energy: -68.248451
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -87.967061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.967061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.967061 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -26.186
Base-Backbone interact. energy: -0.288
local terms energy: -57.272468
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -7.773
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: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -90.293331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.293331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.293331 (E_RNA)
where:
Base-Base interactions energy: -34.161
where: short stacking energy: -34.033
Base-Backbone interact. energy: -1.129
local terms energy: -55.002980
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -11.231
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: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -102.666830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.666830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.666830 (E_RNA)
where:
Base-Base interactions energy: -61.131
where: short stacking energy: -27.999
Base-Backbone interact. energy: 0.234
local terms energy: -41.769462
where:
bonds (distance) C4'-P energy: -5.400
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -88.539706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.539706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.539706 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -33.652
Base-Backbone interact. energy: -0.077
local terms energy: -54.810627
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -239.742615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.742615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.742615 (E_RNA)
where:
Base-Base interactions energy: -163.787
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.297
local terms energy: -75.658990
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -232.801511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.801511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.801511 (E_RNA)
where:
Base-Base interactions energy: -155.918
where: short stacking energy: -68.191
Base-Backbone interact. energy: 0.101
local terms energy: -76.984544
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -18.127
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -230.470353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.470353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.470353 (E_RNA)
where:
Base-Base interactions energy: -152.831
where: short stacking energy: -78.024
Base-Backbone interact. energy: -0.610
local terms energy: -77.029495
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -20.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -217.598573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.598573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.598573 (E_RNA)
where:
Base-Base interactions energy: -150.327
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.123
local terms energy: -67.148298
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -18.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -219.266084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.266084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.266084 (E_RNA)
where:
Base-Base interactions energy: -146.024
where: short stacking energy: -65.168
Base-Backbone interact. energy: -0.010
local terms energy: -73.231694
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -202.872501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.872501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.872501 (E_RNA)
where:
Base-Base interactions energy: -132.144
where: short stacking energy: -59.728
Base-Backbone interact. energy: -0.421
local terms energy: -70.307513
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.379
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: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -92.547722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.547722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.547722 (E_RNA)
where:
Base-Base interactions energy: -38.441
where: short stacking energy: -37.487
Base-Backbone interact. energy: 0.142
local terms energy: -54.248920
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -82.634420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.634420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.634420 (E_RNA)
where:
Base-Base interactions energy: -32.272
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.055
local terms energy: -50.307098
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -3.220
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: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -133.322420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.322420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.322420 (E_RNA)
where:
Base-Base interactions energy: -80.223
where: short stacking energy: -41.048
Base-Backbone interact. energy: 0.086
local terms energy: -53.184980
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -81.556484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.556484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.556484 (E_RNA)
where:
Base-Base interactions energy: -48.119
where: short stacking energy: -26.296
Base-Backbone interact. energy: -0.323
local terms energy: -33.114284
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -3.464
flat angles P-C4'-P energy: -4.580
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: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -233.382793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.382793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.382793 (E_RNA)
where:
Base-Base interactions energy: -154.971
where: short stacking energy: -68.875
Base-Backbone interact. energy: -0.020
local terms energy: -78.391599
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -226.222370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.222370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.222370 (E_RNA)
where:
Base-Base interactions energy: -151.419
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.626
local terms energy: -74.177290
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -233.245785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.245785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.245785 (E_RNA)
where:
Base-Base interactions energy: -162.018
where: short stacking energy: -76.035
Base-Backbone interact. energy: -1.129
local terms energy: -70.098549
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.405
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: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -221.135836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.135836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.135836 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.003
local terms energy: -75.917410
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -215.270038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.270038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.270038 (E_RNA)
where:
Base-Base interactions energy: -146.200
where: short stacking energy: -63.433
Base-Backbone interact. energy: -0.292
local terms energy: -68.777855
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -19.828
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: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -212.429734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.429734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.429734 (E_RNA)
where:
Base-Base interactions energy: -144.008
where: short stacking energy: -66.861
Base-Backbone interact. energy: -0.690
local terms energy: -67.731902
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -90.822211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.822211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.822211 (E_RNA)
where:
Base-Base interactions energy: -34.741
where: short stacking energy: -34.741
Base-Backbone interact. energy: 0.332
local terms energy: -56.413597
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -143.766762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.766762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.766762 (E_RNA)
where:
Base-Base interactions energy: -89.052
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.194
local terms energy: -54.521430
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -5.636
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -7.939
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: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -98.491041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.491041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.491041 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -38.242
Base-Backbone interact. energy: 0.852
local terms energy: -55.587077
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -112.191586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.191586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.191586 (E_RNA)
where:
Base-Base interactions energy: -61.140
where: short stacking energy: -25.780
Base-Backbone interact. energy: -0.730
local terms energy: -50.321186
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -9.987
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: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -231.747637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.747637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.747637 (E_RNA)
where:
Base-Base interactions energy: -155.173
where: short stacking energy: -76.530
Base-Backbone interact. energy: -0.001
local terms energy: -76.574415
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -234.018185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.018185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.018185 (E_RNA)
where:
Base-Base interactions energy: -154.997
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.001
local terms energy: -79.020156
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -23.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -224.384923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.384923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.384923 (E_RNA)
where:
Base-Base interactions energy: -147.105
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.009
local terms energy: -77.270537
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -218.132044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.132044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.132044 (E_RNA)
where:
Base-Base interactions energy: -151.600
where: short stacking energy: -68.748
Base-Backbone interact. energy: -0.007
local terms energy: -66.525261
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -216.239802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.239802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.239802 (E_RNA)
where:
Base-Base interactions energy: -138.769
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.134
local terms energy: -77.336565
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -22.203
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: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -205.697668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.697668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.697668 (E_RNA)
where:
Base-Base interactions energy: -143.503
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.074
local terms energy: -62.120231
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.870
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: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -157.315865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.315865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.315865 (E_RNA)
where:
Base-Base interactions energy: -93.199
where: short stacking energy: -52.289
Base-Backbone interact. energy: 1.953
local terms energy: -66.069947
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -92.387743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.387743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.387743 (E_RNA)
where:
Base-Base interactions energy: -31.279
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.398
local terms energy: -60.711066
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.512
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: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -83.488418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.488418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.488418 (E_RNA)
where:
Base-Base interactions energy: -31.029
where: short stacking energy: -23.177
Base-Backbone interact. energy: -0.511
local terms energy: -51.948282
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.500
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -82.973017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.973017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.973017 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -17.663
Base-Backbone interact. energy: -0.413
local terms energy: -54.149467
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -231.645007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.645007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.645007 (E_RNA)
where:
Base-Base interactions energy: -156.799
where: short stacking energy: -70.997
Base-Backbone interact. energy: -0.001
local terms energy: -74.845002
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -231.089647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089647 (E_RNA)
where:
Base-Base interactions energy: -154.055
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.047
local terms energy: -76.988166
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -19.896
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: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -225.040417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.040417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.040417 (E_RNA)
where:
Base-Base interactions energy: -148.045
where: short stacking energy: -69.892
Base-Backbone interact. energy: -0.472
local terms energy: -76.523506
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -214.966540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.966540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.966540 (E_RNA)
where:
Base-Base interactions energy: -144.292
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.005
local terms energy: -70.669437
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -210.982229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.982229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.982229 (E_RNA)
where:
Base-Base interactions energy: -140.008
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.094
local terms energy: -70.880851
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -177.987031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.987031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.987031 (E_RNA)
where:
Base-Base interactions energy: -105.699
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.025
local terms energy: -72.262932
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -211.745155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.745155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.745155 (E_RNA)
where:
Base-Base interactions energy: -142.205
where: short stacking energy: -69.571
Base-Backbone interact. energy: -0.120
local terms energy: -69.419895
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -87.070099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070099 (E_RNA)
where:
Base-Base interactions energy: -37.568
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.154
local terms energy: -49.348584
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -87.464133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.464133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.464133 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -26.134
Base-Backbone interact. energy: 3.991
local terms energy: -55.213557
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -9.542
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: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -87.470921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.470921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.470921 (E_RNA)
where:
Base-Base interactions energy: -45.923
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.196
local terms energy: -41.351919
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: 3.046
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: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -237.275192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.275192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.275192 (E_RNA)
where:
Base-Base interactions energy: -157.769
where: short stacking energy: -77.912
Base-Backbone interact. energy: -0.082
local terms energy: -79.424833
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -214.386632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.386632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.386632 (E_RNA)
where:
Base-Base interactions energy: -140.978
where: short stacking energy: -59.929
Base-Backbone interact. energy: -0.016
local terms energy: -73.392133
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -221.108473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.108473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.108473 (E_RNA)
where:
Base-Base interactions energy: -145.808
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.359
local terms energy: -74.941464
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -215.690714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.690714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.690714 (E_RNA)
where:
Base-Base interactions energy: -139.912
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.141
local terms energy: -75.636878
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -223.775127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.775127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.775127 (E_RNA)
where:
Base-Base interactions energy: -143.726
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.022
local terms energy: -80.027317
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -163.821956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.821956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.821956 (E_RNA)
where:
Base-Base interactions energy: -110.178
where: short stacking energy: -48.893
Base-Backbone interact. energy: -0.734
local terms energy: -52.909597
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -5.454
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -8.463
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: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -207.783406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.783406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.783406 (E_RNA)
where:
Base-Base interactions energy: -134.353
where: short stacking energy: -58.759
Base-Backbone interact. energy: -0.675
local terms energy: -72.754930
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -86.440826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440826 (E_RNA)
where:
Base-Base interactions energy: -38.680
where: short stacking energy: -24.266
Base-Backbone interact. energy: -0.352
local terms energy: -47.408551
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -9.336
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: 440
Temperature: 1.300000
Total energy: -78.617283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.617283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.617283 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.101
local terms energy: -44.926891
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -74.693362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.693362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.693362 (E_RNA)
where:
Base-Base interactions energy: -25.650
where: short stacking energy: -25.650
Base-Backbone interact. energy: 0.132
local terms energy: -49.175887
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: 1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -232.651876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.651876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.651876 (E_RNA)
where:
Base-Base interactions energy: -161.689
where: short stacking energy: -74.120
Base-Backbone interact. energy: -0.003
local terms energy: -70.960189
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -228.066489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.066489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.066489 (E_RNA)
where:
Base-Base interactions energy: -147.220
where: short stacking energy: -73.008
Base-Backbone interact. energy: -0.061
local terms energy: -80.786079
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -21.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -220.317175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.317175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.317175 (E_RNA)
where:
Base-Base interactions energy: -150.667
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.006
local terms energy: -69.644042
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -221.660117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.660117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.660117 (E_RNA)
where:
Base-Base interactions energy: -147.502
where: short stacking energy: -70.046
Base-Backbone interact. energy: -0.240
local terms energy: -73.917723
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -205.877297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.877297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.877297 (E_RNA)
where:
Base-Base interactions energy: -139.800
where: short stacking energy: -65.258
Base-Backbone interact. energy: -0.177
local terms energy: -65.900770
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -201.807247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.807247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.807247 (E_RNA)
where:
Base-Base interactions energy: -130.128
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.495
local terms energy: -71.184846
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -175.486671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.486671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.486671 (E_RNA)
where:
Base-Base interactions energy: -110.484
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.025
local terms energy: -64.977810
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -18.021
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -89.225795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.225795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.225795 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.026
local terms energy: -51.816664
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -8.841
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: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -87.447197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.447197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.447197 (E_RNA)
where:
Base-Base interactions energy: -43.328
where: short stacking energy: -18.797
Base-Backbone interact. energy: -0.907
local terms energy: -43.212565
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -67.679531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.679531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.679531 (E_RNA)
where:
Base-Base interactions energy: -21.148
where: short stacking energy: -20.460
Base-Backbone interact. energy: -0.115
local terms energy: -46.415871
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -10.148
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: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -231.980004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.980004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.980004 (E_RNA)
where:
Base-Base interactions energy: -150.618
where: short stacking energy: -74.426
Base-Backbone interact. energy: -0.289
local terms energy: -81.073119
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -230.746370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.746370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.746370 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.905
local terms energy: -81.532273
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -225.018404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.018404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.018404 (E_RNA)
where:
Base-Base interactions energy: -152.402
where: short stacking energy: -68.058
Base-Backbone interact. energy: -0.167
local terms energy: -72.449577
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -19.092
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: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -228.873119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.873119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.873119 (E_RNA)
where:
Base-Base interactions energy: -153.009
where: short stacking energy: -67.031
Base-Backbone interact. energy: 0.331
local terms energy: -76.194697
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -20.786
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: 442
Temperature: 1.100000
Total energy: -211.763331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.763331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.763331 (E_RNA)
where:
Base-Base interactions energy: -138.806
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.280
local terms energy: -72.676838
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -11.840
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: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -213.481259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.481259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.481259 (E_RNA)
where:
Base-Base interactions energy: -146.455
where: short stacking energy: -66.685
Base-Backbone interact. energy: -0.326
local terms energy: -66.699799
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -171.583828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.583828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.583828 (E_RNA)
where:
Base-Base interactions energy: -112.831
where: short stacking energy: -52.976
Base-Backbone interact. energy: -0.048
local terms energy: -58.704683
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -81.693680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.693680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.693680 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -30.090
Base-Backbone interact. energy: -0.404
local terms energy: -49.630623
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -79.960413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.960413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.960413 (E_RNA)
where:
Base-Base interactions energy: -30.199
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.189
local terms energy: -49.571813
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -102.854054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.854054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.854054 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.461
local terms energy: -56.428239
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -6.364
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: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -234.831346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.831346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.831346 (E_RNA)
where:
Base-Base interactions energy: -151.229
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.140
local terms energy: -83.461969
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -228.402978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.402978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.402978 (E_RNA)
where:
Base-Base interactions energy: -145.322
where: short stacking energy: -70.631
Base-Backbone interact. energy: -0.045
local terms energy: -83.035752
where:
bonds (distance) C4'-P energy: -16.668
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -227.837155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.837155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.837155 (E_RNA)
where:
Base-Base interactions energy: -151.707
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.011
local terms energy: -76.118680
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -21.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -228.558186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.558186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.558186 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.756
local terms energy: -73.484436
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -218.535588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.535588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.535588 (E_RNA)
where:
Base-Base interactions energy: -143.324
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.010
local terms energy: -75.201021
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -21.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -224.204066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.204066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.204066 (E_RNA)
where:
Base-Base interactions energy: -147.454
where: short stacking energy: -63.515
Base-Backbone interact. energy: -0.121
local terms energy: -76.629259
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -174.162003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.162003 (E_RNA)
where:
Base-Base interactions energy: -109.844
where: short stacking energy: -53.229
Base-Backbone interact. energy: -0.400
local terms energy: -63.917866
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -11.133
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: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -84.711478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.711478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.711478 (E_RNA)
where:
Base-Base interactions energy: -34.087
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.096
local terms energy: -50.528261
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -86.646808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.646808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.646808 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -30.943
Base-Backbone interact. energy: -0.396
local terms energy: -49.992553
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -72.218617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.218617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.218617 (E_RNA)
where:
Base-Base interactions energy: -22.555
where: short stacking energy: -16.385
Base-Backbone interact. energy: -0.041
local terms energy: -49.622090
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -230.666697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.666697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.666697 (E_RNA)
where:
Base-Base interactions energy: -152.107
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.849
local terms energy: -77.711435
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -19.611
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: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -237.455386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.455386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.455386 (E_RNA)
where:
Base-Base interactions energy: -159.629
where: short stacking energy: -80.183
Base-Backbone interact. energy: -0.003
local terms energy: -77.823773
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -229.590540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.590540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590540 (E_RNA)
where:
Base-Base interactions energy: -153.571
where: short stacking energy: -79.138
Base-Backbone interact. energy: -0.005
local terms energy: -76.014686
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -209.870177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.870177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870177 (E_RNA)
where:
Base-Base interactions energy: -143.308
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.085
local terms energy: -66.476806
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -219.479438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.479438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.479438 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -68.849
Base-Backbone interact. energy: -0.800
local terms energy: -78.844937
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -22.316
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: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -224.544585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.544585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.544585 (E_RNA)
where:
Base-Base interactions energy: -144.348
where: short stacking energy: -71.719
Base-Backbone interact. energy: -0.068
local terms energy: -80.128599
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -21.234
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: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -172.176425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.176425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.176425 (E_RNA)
where:
Base-Base interactions energy: -109.326
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.956
local terms energy: -61.893761
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -81.156550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.156550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.156550 (E_RNA)
where:
Base-Base interactions energy: -35.298
where: short stacking energy: -15.818
Base-Backbone interact. energy: -0.198
local terms energy: -45.659963
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -81.044424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.044424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.044424 (E_RNA)
where:
Base-Base interactions energy: -32.689
where: short stacking energy: -32.689
Base-Backbone interact. energy: -0.101
local terms energy: -48.254544
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -90.394782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.394782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.394782 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -32.034
Base-Backbone interact. energy: -1.095
local terms energy: -57.265355
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -237.910304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.910304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.910304 (E_RNA)
where:
Base-Base interactions energy: -162.351
where: short stacking energy: -74.953
Base-Backbone interact. energy: -0.420
local terms energy: -75.139207
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -237.814006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.814006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.814006 (E_RNA)
where:
Base-Base interactions energy: -155.438
where: short stacking energy: -78.062
Base-Backbone interact. energy: -0.041
local terms energy: -82.335559
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -231.580615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.580615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.580615 (E_RNA)
where:
Base-Base interactions energy: -152.287
where: short stacking energy: -69.705
Base-Backbone interact. energy: -0.002
local terms energy: -79.292252
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -221.075309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075309 (E_RNA)
where:
Base-Base interactions energy: -147.775
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.059
local terms energy: -73.240985
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -208.440023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.440023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.440023 (E_RNA)
where:
Base-Base interactions energy: -140.949
where: short stacking energy: -65.340
Base-Backbone interact. energy: 0.023
local terms energy: -67.514058
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -177.320657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.320657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.320657 (E_RNA)
where:
Base-Base interactions energy: -110.475
where: short stacking energy: -49.972
Base-Backbone interact. energy: -0.359
local terms energy: -66.486800
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -7.408
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: 7, replica: 2
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -182.472728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.472728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.472728 (E_RNA)
where:
Base-Base interactions energy: -123.123
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.061
local terms energy: -59.288904
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -5.447
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: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -87.589261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589261 (E_RNA)
where:
Base-Base interactions energy: -44.523
where: short stacking energy: -13.786
Base-Backbone interact. energy: -0.385
local terms energy: -42.681148
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: 1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -77.374809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.374809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.374809 (E_RNA)
where:
Base-Base interactions energy: -37.546
where: short stacking energy: -32.758
Base-Backbone interact. energy: -1.024
local terms energy: -38.805484
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -8.820
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: 0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -81.920697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.920697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.920697 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -33.235
Base-Backbone interact. energy: -0.587
local terms energy: -45.351519
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -239.579357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.579357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.579357 (E_RNA)
where:
Base-Base interactions energy: -157.515
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.010
local terms energy: -82.054674
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -24.079
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: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -236.037267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.037267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.037267 (E_RNA)
where:
Base-Base interactions energy: -157.322
where: short stacking energy: -75.307
Base-Backbone interact. energy: -0.593
local terms energy: -78.122799
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.624
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -22.006
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: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -222.764389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.764389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.764389 (E_RNA)
where:
Base-Base interactions energy: -149.179
where: short stacking energy: -67.826
Base-Backbone interact. energy: -0.050
local terms energy: -73.535445
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -14.876
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: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -226.877175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.877175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.877175 (E_RNA)
where:
Base-Base interactions energy: -152.226
where: short stacking energy: -75.259
Base-Backbone interact. energy: -0.003
local terms energy: -74.647291
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -181.827302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.827302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.827302 (E_RNA)
where:
Base-Base interactions energy: -118.116
where: short stacking energy: -53.938
Base-Backbone interact. energy: -0.104
local terms energy: -63.607470
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -8.511
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -7.732
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: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -210.720627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.720627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.720627 (E_RNA)
where:
Base-Base interactions energy: -135.238
where: short stacking energy: -59.680
Base-Backbone interact. energy: 1.464
local terms energy: -76.946372
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.295
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: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -173.583698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.583698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.583698 (E_RNA)
where:
Base-Base interactions energy: -107.618
where: short stacking energy: -47.065
Base-Backbone interact. energy: -0.837
local terms energy: -65.128964
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.621
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: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -99.704417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.704417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.704417 (E_RNA)
where:
Base-Base interactions energy: -47.477
where: short stacking energy: -29.397
Base-Backbone interact. energy: 1.139
local terms energy: -53.366480
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -3.737
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: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -86.767229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.767229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.767229 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -32.444
Base-Backbone interact. energy: -0.310
local terms energy: -54.012684
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -7.077
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -10.251
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: 446
Temperature: 1.350000
Total energy: -81.876253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.876253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.876253 (E_RNA)
where:
Base-Base interactions energy: -38.343
where: short stacking energy: -22.525
Base-Backbone interact. energy: -0.451
local terms energy: -43.082391
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -5.226
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: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -239.219557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.219557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.219557 (E_RNA)
where:
Base-Base interactions energy: -156.578
where: short stacking energy: -70.225
Base-Backbone interact. energy: -0.001
local terms energy: -82.640504
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -227.250127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.250127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.250127 (E_RNA)
where:
Base-Base interactions energy: -156.481
where: short stacking energy: -67.352
Base-Backbone interact. energy: -0.467
local terms energy: -70.301848
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -227.905529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.905529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.905529 (E_RNA)
where:
Base-Base interactions energy: -149.491
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.192
local terms energy: -78.221814
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -224.714207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.714207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.714207 (E_RNA)
where:
Base-Base interactions energy: -144.808
where: short stacking energy: -71.607
Base-Backbone interact. energy: -1.190
local terms energy: -78.716003
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -215.980986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.980986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.980986 (E_RNA)
where:
Base-Base interactions energy: -141.849
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.016
local terms energy: -74.115959
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -208.726846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.726846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.726846 (E_RNA)
where:
Base-Base interactions energy: -142.012
where: short stacking energy: -69.716
Base-Backbone interact. energy: -0.614
local terms energy: -66.100740
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -212.536725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.536725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.536725 (E_RNA)
where:
Base-Base interactions energy: -144.426
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.613
local terms energy: -67.497313
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -17.223
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: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -77.989691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.989691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.989691 (E_RNA)
where:
Base-Base interactions energy: -29.794
where: short stacking energy: -24.808
Base-Backbone interact. energy: -0.018
local terms energy: -48.176850
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -2.750
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -4.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -93.460776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.460776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.460776 (E_RNA)
where:
Base-Base interactions energy: -36.769
where: short stacking energy: -25.215
Base-Backbone interact. energy: -0.015
local terms energy: -56.676091
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -93.388651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.388651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.388651 (E_RNA)
where:
Base-Base interactions energy: -37.510
where: short stacking energy: -31.436
Base-Backbone interact. energy: 0.023
local terms energy: -55.901587
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -237.316909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.316909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.316909 (E_RNA)
where:
Base-Base interactions energy: -152.403
where: short stacking energy: -77.276
Base-Backbone interact. energy: -0.005
local terms energy: -84.909131
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.526
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: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -227.228987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.228987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.228987 (E_RNA)
where:
Base-Base interactions energy: -155.246
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.072
local terms energy: -71.910916
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -17.450
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: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -226.251109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.251109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.251109 (E_RNA)
where:
Base-Base interactions energy: -145.926
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.791
local terms energy: -79.534009
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -20.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -217.713735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.713735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.713735 (E_RNA)
where:
Base-Base interactions energy: -145.875
where: short stacking energy: -70.089
Base-Backbone interact. energy: -0.160
local terms energy: -71.678864
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -206.086812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.086812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.086812 (E_RNA)
where:
Base-Base interactions energy: -139.258
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.001
local terms energy: -66.827269
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -214.293283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.293283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.293283 (E_RNA)
where:
Base-Base interactions energy: -142.326
where: short stacking energy: -69.609
Base-Backbone interact. energy: 0.708
local terms energy: -72.675218
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -9.691
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: 7, replica: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -210.907614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.907614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.907614 (E_RNA)
where:
Base-Base interactions energy: -137.304
where: short stacking energy: -60.375
Base-Backbone interact. energy: -0.001
local terms energy: -73.603161
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.884
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: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -94.968793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.968793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.968793 (E_RNA)
where:
Base-Base interactions energy: -48.569
where: short stacking energy: -36.527
Base-Backbone interact. energy: -0.499
local terms energy: -45.901374
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -5.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -87.142734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.142734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.142734 (E_RNA)
where:
Base-Base interactions energy: -42.024
where: short stacking energy: -37.321
Base-Backbone interact. energy: -0.178
local terms energy: -44.941196
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -8.154
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: 10, replica: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -80.243409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.243409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.243409 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -22.642
Base-Backbone interact. energy: -0.015
local terms energy: -45.113214
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: 3.367
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: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -243.224429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.224429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.224429 (E_RNA)
where:
Base-Base interactions energy: -159.059
where: short stacking energy: -77.095
Base-Backbone interact. energy: -0.518
local terms energy: -83.647978
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -24.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -235.094724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.094724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.094724 (E_RNA)
where:
Base-Base interactions energy: -155.116
where: short stacking energy: -75.128
Base-Backbone interact. energy: -0.162
local terms energy: -79.817233
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -223.611478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.611478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.611478 (E_RNA)
where:
Base-Base interactions energy: -153.381
where: short stacking energy: -68.520
Base-Backbone interact. energy: -0.017
local terms energy: -70.213141
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -221.250526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.250526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.250526 (E_RNA)
where:
Base-Base interactions energy: -149.321
where: short stacking energy: -67.917
Base-Backbone interact. energy: -0.870
local terms energy: -71.059693
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -215.194837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.194837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.194837 (E_RNA)
where:
Base-Base interactions energy: -140.542
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.101
local terms energy: -74.551456
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -211.749652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.749652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.749652 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -68.710
Base-Backbone interact. energy: -0.342
local terms energy: -68.787790
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -9.969
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: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -205.946543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.946543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.946543 (E_RNA)
where:
Base-Base interactions energy: -136.499
where: short stacking energy: -55.348
Base-Backbone interact. energy: -0.538
local terms energy: -68.910057
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -108.623683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.623683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.623683 (E_RNA)
where:
Base-Base interactions energy: -63.182
where: short stacking energy: -40.798
Base-Backbone interact. energy: -1.079
local terms energy: -44.363486
where:
bonds (distance) C4'-P energy: -5.206
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -4.237
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -107.050756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.050756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.050756 (E_RNA)
where:
Base-Base interactions energy: -55.159
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.774
local terms energy: -51.118146
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -2.788
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -72.221595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.221595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.221595 (E_RNA)
where:
Base-Base interactions energy: -28.422
where: short stacking energy: -23.617
Base-Backbone interact. energy: -0.453
local terms energy: -43.347153
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -236.773924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.773924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.773924 (E_RNA)
where:
Base-Base interactions energy: -157.092
where: short stacking energy: -75.316
Base-Backbone interact. energy: -0.421
local terms energy: -79.260845
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -236.353009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.353009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.353009 (E_RNA)
where:
Base-Base interactions energy: -154.155
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.456
local terms energy: -81.741747
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -227.361510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.361510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.361510 (E_RNA)
where:
Base-Base interactions energy: -152.718
where: short stacking energy: -72.870
Base-Backbone interact. energy: -0.639
local terms energy: -74.004667
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -227.816458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.816458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.816458 (E_RNA)
where:
Base-Base interactions energy: -158.054
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.073
local terms energy: -69.690087
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -226.444587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.444587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.444587 (E_RNA)
where:
Base-Base interactions energy: -152.508
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.055
local terms energy: -73.881588
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -9.913
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: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -209.282561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.282561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.282561 (E_RNA)
where:
Base-Base interactions energy: -128.886
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.029
local terms energy: -80.367230
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -16.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -211.737856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.737856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.737856 (E_RNA)
where:
Base-Base interactions energy: -141.297
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.383
local terms energy: -70.058188
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -10.134
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -99.592895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.592895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.592895 (E_RNA)
where:
Base-Base interactions energy: -51.200
where: short stacking energy: -23.383
Base-Backbone interact. energy: 1.374
local terms energy: -49.766861
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -2.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -102.014571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.014571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.014571 (E_RNA)
where:
Base-Base interactions energy: -57.054
where: short stacking energy: -27.907
Base-Backbone interact. energy: 0.887
local terms energy: -45.846946
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -84.094430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.094430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.094430 (E_RNA)
where:
Base-Base interactions energy: -34.384
where: short stacking energy: -34.384
Base-Backbone interact. energy: -0.043
local terms energy: -49.667023
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -243.220922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.220922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.220922 (E_RNA)
where:
Base-Base interactions energy: -161.272
where: short stacking energy: -76.939
Base-Backbone interact. energy: -0.518
local terms energy: -81.430353
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -232.323879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.323879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.323879 (E_RNA)
where:
Base-Base interactions energy: -154.940
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.248
local terms energy: -77.136165
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -219.036293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.036293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.036293 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.007
local terms energy: -73.342895
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -220.172078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.172078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.172078 (E_RNA)
where:
Base-Base interactions energy: -145.168
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.304
local terms energy: -74.700752
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -214.183208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.183208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.183208 (E_RNA)
where:
Base-Base interactions energy: -154.064
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.178
local terms energy: -59.941242
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -12.011
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: 6, replica: 4
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -206.594607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.594607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.594607 (E_RNA)
where:
Base-Base interactions energy: -138.076
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.001
local terms energy: -68.517583
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -209.053586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.053586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.053586 (E_RNA)
where:
Base-Base interactions energy: -136.217
where: short stacking energy: -58.278
Base-Backbone interact. energy: -0.000
local terms energy: -72.835909
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -86.966760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.966760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.966760 (E_RNA)
where:
Base-Base interactions energy: -35.871
where: short stacking energy: -22.575
Base-Backbone interact. energy: 1.419
local terms energy: -52.514392
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -90.557382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.557382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.557382 (E_RNA)
where:
Base-Base interactions energy: -44.958
where: short stacking energy: -21.577
Base-Backbone interact. energy: 2.590
local terms energy: -48.189295
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -6.283
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: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -75.869024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.869024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.869024 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -26.043
Base-Backbone interact. energy: -0.157
local terms energy: -46.775913
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: 1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -235.954339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.954339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.954339 (E_RNA)
where:
Base-Base interactions energy: -155.547
where: short stacking energy: -77.433
Base-Backbone interact. energy: -0.011
local terms energy: -80.395890
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -23.710
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: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -234.428349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.428349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.428349 (E_RNA)
where:
Base-Base interactions energy: -154.752
where: short stacking energy: -75.335
Base-Backbone interact. energy: -0.150
local terms energy: -79.525667
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -231.984431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.984431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.984431 (E_RNA)
where:
Base-Base interactions energy: -156.378
where: short stacking energy: -78.890
Base-Backbone interact. energy: -0.322
local terms energy: -75.284212
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.263
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: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -214.292198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.292198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.292198 (E_RNA)
where:
Base-Base interactions energy: -143.837
where: short stacking energy: -66.859
Base-Backbone interact. energy: 1.953
local terms energy: -72.408462
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -215.540139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.540139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.540139 (E_RNA)
where:
Base-Base interactions energy: -145.406
where: short stacking energy: -59.528
Base-Backbone interact. energy: -0.577
local terms energy: -69.557162
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -201.913818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.913818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.913818 (E_RNA)
where:
Base-Base interactions energy: -132.981
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.610
local terms energy: -68.323250
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -7.576
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: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -199.200258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.200258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.200258 (E_RNA)
where:
Base-Base interactions energy: -136.545
where: short stacking energy: -61.219
Base-Backbone interact. energy: -0.076
local terms energy: -62.579012
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -6.570
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -85.327973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.327973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.327973 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -30.575
Base-Backbone interact. energy: -0.030
local terms energy: -54.141580
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -82.288132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.288132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.288132 (E_RNA)
where:
Base-Base interactions energy: -37.163
where: short stacking energy: -28.879
Base-Backbone interact. energy: -0.194
local terms energy: -44.931301
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -85.447147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.447147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.447147 (E_RNA)
where:
Base-Base interactions energy: -40.601
where: short stacking energy: -19.153
Base-Backbone interact. energy: -0.332
local terms energy: -44.514361
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: 0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -231.244744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.244744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.244744 (E_RNA)
where:
Base-Base interactions energy: -159.040
where: short stacking energy: -77.479
Base-Backbone interact. energy: -0.031
local terms energy: -72.173280
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -235.218597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.218597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.218597 (E_RNA)
where:
Base-Base interactions energy: -155.543
where: short stacking energy: -74.131
Base-Backbone interact. energy: -0.220
local terms energy: -79.455186
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -222.071139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.071139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.071139 (E_RNA)
where:
Base-Base interactions energy: -154.192
where: short stacking energy: -72.228
Base-Backbone interact. energy: -0.149
local terms energy: -67.730157
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -215.539648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.539648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.539648 (E_RNA)
where:
Base-Base interactions energy: -142.897
where: short stacking energy: -66.325
Base-Backbone interact. energy: -0.087
local terms energy: -72.555293
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -219.265722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.265722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.265722 (E_RNA)
where:
Base-Base interactions energy: -149.591
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.062
local terms energy: -69.612408
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -184.573673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.573673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.573673 (E_RNA)
where:
Base-Base interactions energy: -115.491
where: short stacking energy: -52.288
Base-Backbone interact. energy: -0.362
local terms energy: -68.721216
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -200.142463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.142463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.142463 (E_RNA)
where:
Base-Base interactions energy: -130.606
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.095
local terms energy: -69.441959
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -21.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -92.933407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.933407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.933407 (E_RNA)
where:
Base-Base interactions energy: -46.741
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.329
local terms energy: -45.863328
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -80.380999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.380999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.380999 (E_RNA)
where:
Base-Base interactions energy: -31.211
where: short stacking energy: -26.708
Base-Backbone interact. energy: -0.159
local terms energy: -49.011024
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -78.905989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.905989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.905989 (E_RNA)
where:
Base-Base interactions energy: -31.498
where: short stacking energy: -30.343
Base-Backbone interact. energy: -0.195
local terms energy: -47.213244
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -240.327734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.327734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.327734 (E_RNA)
where:
Base-Base interactions energy: -157.039
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.003
local terms energy: -83.285058
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -232.473098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.473098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.473098 (E_RNA)
where:
Base-Base interactions energy: -155.406
where: short stacking energy: -73.540
Base-Backbone interact. energy: -0.076
local terms energy: -76.991450
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -235.108833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.108833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.108833 (E_RNA)
where:
Base-Base interactions energy: -155.941
where: short stacking energy: -76.276
Base-Backbone interact. energy: -0.019
local terms energy: -79.149056
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -11.685
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -222.062275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.062275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.062275 (E_RNA)
where:
Base-Base interactions energy: -147.754
where: short stacking energy: -72.270
Base-Backbone interact. energy: -0.004
local terms energy: -74.304183
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.945
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: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -202.712744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.712744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.712744 (E_RNA)
where:
Base-Base interactions energy: -135.738
where: short stacking energy: -62.397
Base-Backbone interact. energy: -1.010
local terms energy: -65.964109
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -217.256559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.256559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.256559 (E_RNA)
where:
Base-Base interactions energy: -148.037
where: short stacking energy: -61.509
Base-Backbone interact. energy: -0.122
local terms energy: -69.096775
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.946
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: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -209.328611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.328611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.328611 (E_RNA)
where:
Base-Base interactions energy: -142.499
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.044
local terms energy: -66.786001
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -12.554
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: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -84.011396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.011396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.011396 (E_RNA)
where:
Base-Base interactions energy: -37.271
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.064
local terms energy: -46.676219
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -8.356
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -81.860674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.860674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.860674 (E_RNA)
where:
Base-Base interactions energy: -24.746
where: short stacking energy: -24.746
Base-Backbone interact. energy: -0.186
local terms energy: -56.929247
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -3.954
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: 454
Temperature: 1.350000
Total energy: -82.214864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.214864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.214864 (E_RNA)
where:
Base-Base interactions energy: -36.538
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.166
local terms energy: -45.511102
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -235.350936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.350936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.350936 (E_RNA)
where:
Base-Base interactions energy: -160.885
where: short stacking energy: -75.132
Base-Backbone interact. energy: -0.007
local terms energy: -74.459791
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -22.156
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: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -230.671105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.671105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.671105 (E_RNA)
where:
Base-Base interactions energy: -146.247
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.283
local terms energy: -84.141165
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -23.166
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: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -231.956277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.956277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.956277 (E_RNA)
where:
Base-Base interactions energy: -150.864
where: short stacking energy: -66.062
Base-Backbone interact. energy: -1.263
local terms energy: -79.829595
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -223.982633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.982633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.982633 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -72.559
Base-Backbone interact. energy: -0.786
local terms energy: -76.416468
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.593
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: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -221.401265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.401265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.401265 (E_RNA)
where:
Base-Base interactions energy: -148.539
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.005
local terms energy: -72.857254
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -22.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -216.544314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544314 (E_RNA)
where:
Base-Base interactions energy: -146.987
where: short stacking energy: -64.319
Base-Backbone interact. energy: -0.085
local terms energy: -69.472316
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -206.572606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.572606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.572606 (E_RNA)
where:
Base-Base interactions energy: -132.992
where: short stacking energy: -60.437
Base-Backbone interact. energy: -0.598
local terms energy: -72.982463
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -80.573026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573026 (E_RNA)
where:
Base-Base interactions energy: -29.000
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.134
local terms energy: -51.439487
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -93.834194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.834194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.834194 (E_RNA)
where:
Base-Base interactions energy: -37.376
where: short stacking energy: -37.376
Base-Backbone interact. energy: 5.758
local terms energy: -62.215392
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -12.064
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: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -89.315629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.315629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.315629 (E_RNA)
where:
Base-Base interactions energy: -55.939
where: short stacking energy: -27.578
Base-Backbone interact. energy: -0.659
local terms energy: -32.717450
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: 2.878
tors. eta vs tors. theta energy: 1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -236.427668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.427668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.427668 (E_RNA)
where:
Base-Base interactions energy: -156.293
where: short stacking energy: -72.343
Base-Backbone interact. energy: -0.527
local terms energy: -79.607720
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.084
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: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -227.379700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.379700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.379700 (E_RNA)
where:
Base-Base interactions energy: -153.005
where: short stacking energy: -76.095
Base-Backbone interact. energy: -0.004
local terms energy: -74.370467
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -228.427490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.427490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.427490 (E_RNA)
where:
Base-Base interactions energy: -151.466
where: short stacking energy: -73.147
Base-Backbone interact. energy: -0.008
local terms energy: -76.953019
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -14.206
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: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -207.537791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.537791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.537791 (E_RNA)
where:
Base-Base interactions energy: -140.521
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.003
local terms energy: -67.014618
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -16.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -215.817074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.817074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.817074 (E_RNA)
where:
Base-Base interactions energy: -144.242
where: short stacking energy: -61.084
Base-Backbone interact. energy: -0.661
local terms energy: -70.913193
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -217.306099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.306099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.306099 (E_RNA)
where:
Base-Base interactions energy: -140.675
where: short stacking energy: -68.169
Base-Backbone interact. energy: 0.633
local terms energy: -77.264730
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -21.893
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: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -212.245870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.245870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.245870 (E_RNA)
where:
Base-Base interactions energy: -136.988
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.589
local terms energy: -74.668979
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -17.715
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: 8, replica: 10
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -79.642693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.642693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.642693 (E_RNA)
where:
Base-Base interactions energy: -27.487
where: short stacking energy: -27.487
Base-Backbone interact. energy: 0.457
local terms energy: -52.612534
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -78.346247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.346247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.346247 (E_RNA)
where:
Base-Base interactions energy: -37.569
where: short stacking energy: -26.347
Base-Backbone interact. energy: -1.237
local terms energy: -39.540933
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -7.077
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -9.736
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: 10, replica: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -79.539989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.539989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.539989 (E_RNA)
where:
Base-Base interactions energy: -37.662
where: short stacking energy: -24.613
Base-Backbone interact. energy: -1.316
local terms energy: -40.561124
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -4.958
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: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -235.717739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.717739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.717739 (E_RNA)
where:
Base-Base interactions energy: -156.946
where: short stacking energy: -73.945
Base-Backbone interact. energy: -0.412
local terms energy: -78.358907
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.806
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: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -230.395029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.395029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.395029 (E_RNA)
where:
Base-Base interactions energy: -159.715
where: short stacking energy: -70.779
Base-Backbone interact. energy: -0.007
local terms energy: -70.673245
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -23.765
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: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -220.291139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.291139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.291139 (E_RNA)
where:
Base-Base interactions energy: -156.694
where: short stacking energy: -72.595
Base-Backbone interact. energy: -0.008
local terms energy: -63.589784
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -7.143
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -227.024061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.024061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.024061 (E_RNA)
where:
Base-Base interactions energy: -157.337
where: short stacking energy: -74.683
Base-Backbone interact. energy: -0.002
local terms energy: -69.684897
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -212.885307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.885307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885307 (E_RNA)
where:
Base-Base interactions energy: -151.078
where: short stacking energy: -68.785
Base-Backbone interact. energy: -0.033
local terms energy: -61.774292
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -212.846046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.846046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.846046 (E_RNA)
where:
Base-Base interactions energy: -147.170
where: short stacking energy: -67.386
Base-Backbone interact. energy: -0.002
local terms energy: -65.674020
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -206.392403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.392403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.392403 (E_RNA)
where:
Base-Base interactions energy: -142.355
where: short stacking energy: -62.518
Base-Backbone interact. energy: -0.107
local terms energy: -63.930256
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -16.656
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: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -96.598416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.598416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.598416 (E_RNA)
where:
Base-Base interactions energy: -54.268
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.297
local terms energy: -42.034003
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -83.357402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357402 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -29.294
Base-Backbone interact. energy: 0.577
local terms energy: -47.262294
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: 0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -70.046783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.046783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.046783 (E_RNA)
where:
Base-Base interactions energy: -32.341
where: short stacking energy: -32.341
Base-Backbone interact. energy: -0.198
local terms energy: -37.507824
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -3.585
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -239.637338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.637338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.637338 (E_RNA)
where:
Base-Base interactions energy: -158.239
where: short stacking energy: -74.291
Base-Backbone interact. energy: -0.660
local terms energy: -80.738190
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -221.996844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.996844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.996844 (E_RNA)
where:
Base-Base interactions energy: -147.842
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.002
local terms energy: -74.153711
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -225.329868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.329868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.329868 (E_RNA)
where:
Base-Base interactions energy: -146.939
where: short stacking energy: -70.313
Base-Backbone interact. energy: -0.038
local terms energy: -78.353519
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -20.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -228.577002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.577002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.577002 (E_RNA)
where:
Base-Base interactions energy: -149.443
where: short stacking energy: -73.020
Base-Backbone interact. energy: -0.051
local terms energy: -79.083584
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -22.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -224.779067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.779067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.779067 (E_RNA)
where:
Base-Base interactions energy: -150.562
where: short stacking energy: -68.901
Base-Backbone interact. energy: -0.112
local terms energy: -74.105326
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -21.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -206.904713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.904713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.904713 (E_RNA)
where:
Base-Base interactions energy: -128.970
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.005
local terms energy: -77.929843
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -201.039825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.039825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.039825 (E_RNA)
where:
Base-Base interactions energy: -128.644
where: short stacking energy: -55.117
Base-Backbone interact. energy: -0.101
local terms energy: -72.294510
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -103.109675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.109675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.109675 (E_RNA)
where:
Base-Base interactions energy: -52.316
where: short stacking energy: -29.448
Base-Backbone interact. energy: -0.092
local terms energy: -50.701306
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -76.846811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.846811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.846811 (E_RNA)
where:
Base-Base interactions energy: -29.967
where: short stacking energy: -29.967
Base-Backbone interact. energy: -0.247
local terms energy: -46.632153
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -8.952
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -90.231935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231935 (E_RNA)
where:
Base-Base interactions energy: -33.158
where: short stacking energy: -18.727
Base-Backbone interact. energy: 0.566
local terms energy: -57.639445
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -3.881
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: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -240.125309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.125309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.125309 (E_RNA)
where:
Base-Base interactions energy: -156.580
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.002
local terms energy: -83.543728
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -23.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -229.061805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.061805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.061805 (E_RNA)
where:
Base-Base interactions energy: -154.796
where: short stacking energy: -77.917
Base-Backbone interact. energy: -0.012
local terms energy: -74.253315
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -240.557856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.557856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.557856 (E_RNA)
where:
Base-Base interactions energy: -158.671
where: short stacking energy: -74.920
Base-Backbone interact. energy: -0.159
local terms energy: -81.727127
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -221.589694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.589694 (E_RNA)
where:
Base-Base interactions energy: -142.667
where: short stacking energy: -72.388
Base-Backbone interact. energy: -0.011
local terms energy: -78.911679
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -22.529
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: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -211.031476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.031476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.031476 (E_RNA)
where:
Base-Base interactions energy: -145.413
where: short stacking energy: -62.606
Base-Backbone interact. energy: -0.197
local terms energy: -65.420984
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -8.369
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -203.732899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.732899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.732899 (E_RNA)
where:
Base-Base interactions energy: -131.026
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.055
local terms energy: -72.651322
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -180.354068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.354068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.354068 (E_RNA)
where:
Base-Base interactions energy: -120.143
where: short stacking energy: -59.321
Base-Backbone interact. energy: -0.018
local terms energy: -60.192695
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -93.776944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.776944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.776944 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -40.183
Base-Backbone interact. energy: 0.123
local terms energy: -53.717658
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -8.900
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -80.876907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.876907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.876907 (E_RNA)
where:
Base-Base interactions energy: -34.034
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.247
local terms energy: -46.595631
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -79.806050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.806050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.806050 (E_RNA)
where:
Base-Base interactions energy: -26.831
where: short stacking energy: -26.831
Base-Backbone interact. energy: 0.260
local terms energy: -53.234610
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -3.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -236.542463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.542463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.542463 (E_RNA)
where:
Base-Base interactions energy: -153.555
where: short stacking energy: -72.541
Base-Backbone interact. energy: -0.019
local terms energy: -82.969361
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -23.667
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: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -229.707743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.707743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.707743 (E_RNA)
where:
Base-Base interactions energy: -147.752
where: short stacking energy: -75.146
Base-Backbone interact. energy: -0.003
local terms energy: -81.952123
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -231.814745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.814745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.814745 (E_RNA)
where:
Base-Base interactions energy: -151.431
where: short stacking energy: -69.847
Base-Backbone interact. energy: -0.174
local terms energy: -80.209533
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.974
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: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -226.726221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.726221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.726221 (E_RNA)
where:
Base-Base interactions energy: -153.300
where: short stacking energy: -71.978
Base-Backbone interact. energy: -0.014
local terms energy: -73.412153
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -9.624
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -215.353287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.353287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.353287 (E_RNA)
where:
Base-Base interactions energy: -144.118
where: short stacking energy: -69.144
Base-Backbone interact. energy: -0.257
local terms energy: -70.978922
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.760
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: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -215.165255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.165255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.165255 (E_RNA)
where:
Base-Base interactions energy: -148.471
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.007
local terms energy: -66.687777
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -3.159
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -174.006435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.006435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.006435 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -44.457
Base-Backbone interact. energy: -0.472
local terms energy: -64.445197
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -90.270223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.270223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.270223 (E_RNA)
where:
Base-Base interactions energy: -40.204
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.124
local terms energy: -49.942032
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -86.792151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.792151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.792151 (E_RNA)
where:
Base-Base interactions energy: -37.103
where: short stacking energy: -12.546
Base-Backbone interact. energy: -0.159
local terms energy: -49.530055
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -6.813
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: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -76.899217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.899217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.899217 (E_RNA)
where:
Base-Base interactions energy: -30.824
where: short stacking energy: -28.457
Base-Backbone interact. energy: -0.089
local terms energy: -45.987100
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: 0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -234.909659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.909659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.909659 (E_RNA)
where:
Base-Base interactions energy: -154.178
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.010
local terms energy: -80.721518
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -239.596112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.596112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.596112 (E_RNA)
where:
Base-Base interactions energy: -158.979
where: short stacking energy: -74.664
Base-Backbone interact. energy: -0.413
local terms energy: -80.204308
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -227.732773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.732773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.732773 (E_RNA)
where:
Base-Base interactions energy: -149.186
where: short stacking energy: -63.770
Base-Backbone interact. energy: -0.273
local terms energy: -78.274512
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -9.827
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: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -229.395375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.395375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.395375 (E_RNA)
where:
Base-Base interactions energy: -150.575
where: short stacking energy: -71.265
Base-Backbone interact. energy: -0.195
local terms energy: -78.625880
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -214.516461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.516461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.516461 (E_RNA)
where:
Base-Base interactions energy: -145.980
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.868
local terms energy: -67.668953
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -188.790873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.790873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.790873 (E_RNA)
where:
Base-Base interactions energy: -114.970
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.057
local terms energy: -73.763703
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -12.444
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: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -175.636787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.636787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.636787 (E_RNA)
where:
Base-Base interactions energy: -118.014
where: short stacking energy: -46.794
Base-Backbone interact. energy: -0.027
local terms energy: -57.595170
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -9.261
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -84.902730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.902730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.902730 (E_RNA)
where:
Base-Base interactions energy: -37.984
where: short stacking energy: -28.537
Base-Backbone interact. energy: -0.341
local terms energy: -46.577952
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -1.062
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: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -77.391499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.391499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.391499 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -20.091
Base-Backbone interact. energy: -0.135
local terms energy: -46.973124
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -0.960
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: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -98.078993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.078993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.078993 (E_RNA)
where:
Base-Base interactions energy: -51.899
where: short stacking energy: -16.887
Base-Backbone interact. energy: -1.184
local terms energy: -44.996896
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -4.124
tors. eta vs tors. theta energy: -3.105
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: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -236.200881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.200881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.200881 (E_RNA)
where:
Base-Base interactions energy: -156.567
where: short stacking energy: -72.480
Base-Backbone interact. energy: -0.032
local terms energy: -79.602519
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -226.190270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.190270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.190270 (E_RNA)
where:
Base-Base interactions energy: -153.207
where: short stacking energy: -69.953
Base-Backbone interact. energy: -0.604
local terms energy: -72.379007
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -22.461
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: 462
Temperature: 1.000000
Total energy: -227.740087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.740087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.740087 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -64.960
Base-Backbone interact. energy: -0.017
local terms energy: -77.234416
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -23.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -219.282916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.282916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.282916 (E_RNA)
where:
Base-Base interactions energy: -146.913
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.001
local terms energy: -72.369254
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -20.646
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: 5, replica: 9
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -210.964024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.964024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.964024 (E_RNA)
where:
Base-Base interactions energy: -138.103
where: short stacking energy: -62.204
Base-Backbone interact. energy: 0.805
local terms energy: -73.666345
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -160.307539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.307539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.307539 (E_RNA)
where:
Base-Base interactions energy: -98.508
where: short stacking energy: -46.166
Base-Backbone interact. energy: -0.487
local terms energy: -61.312521
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -8.815
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: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -164.220125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.220125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.220125 (E_RNA)
where:
Base-Base interactions energy: -108.098
where: short stacking energy: -48.570
Base-Backbone interact. energy: -0.721
local terms energy: -55.401088
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -10.837
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: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -101.785637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.785637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.785637 (E_RNA)
where:
Base-Base interactions energy: -47.725
where: short stacking energy: -38.480
Base-Backbone interact. energy: -0.687
local terms energy: -53.373421
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -8.538
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: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -125.554121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.554121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.554121 (E_RNA)
where:
Base-Base interactions energy: -85.560
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.135
local terms energy: -39.859493
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -6.509
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -89.426475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.426475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.426475 (E_RNA)
where:
Base-Base interactions energy: -36.763
where: short stacking energy: -36.821
Base-Backbone interact. energy: -3.007
local terms energy: -49.657096
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -6.636
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: 1, replica: 8
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -240.878422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.878422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.878422 (E_RNA)
where:
Base-Base interactions energy: -158.060
where: short stacking energy: -80.429
Base-Backbone interact. energy: -0.001
local terms energy: -82.817564
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -229.184679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.184679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.184679 (E_RNA)
where:
Base-Base interactions energy: -153.075
where: short stacking energy: -75.376
Base-Backbone interact. energy: -0.702
local terms energy: -75.407280
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -21.481
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: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -224.063081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.063081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.063081 (E_RNA)
where:
Base-Base interactions energy: -155.323
where: short stacking energy: -70.217
Base-Backbone interact. energy: -0.003
local terms energy: -68.736687
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -229.236888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.236888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.236888 (E_RNA)
where:
Base-Base interactions energy: -157.259
where: short stacking energy: -71.647
Base-Backbone interact. energy: -0.419
local terms energy: -71.558405
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -19.903
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: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -214.093577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.093577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.093577 (E_RNA)
where:
Base-Base interactions energy: -140.541
where: short stacking energy: -67.105
Base-Backbone interact. energy: -0.063
local terms energy: -73.488636
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -20.114
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: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -172.036127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.036127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.036127 (E_RNA)
where:
Base-Base interactions energy: -102.659
where: short stacking energy: -43.357
Base-Backbone interact. energy: -0.118
local terms energy: -69.259007
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -180.386666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.386666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.386666 (E_RNA)
where:
Base-Base interactions energy: -109.664
where: short stacking energy: -51.744
Base-Backbone interact. energy: -0.280
local terms energy: -70.442108
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -177.205381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.205381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.205381 (E_RNA)
where:
Base-Base interactions energy: -111.759
where: short stacking energy: -53.330
Base-Backbone interact. energy: -0.049
local terms energy: -65.397225
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -92.134218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.134218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.134218 (E_RNA)
where:
Base-Base interactions energy: -39.381
where: short stacking energy: -31.943
Base-Backbone interact. energy: -0.056
local terms energy: -52.697162
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -9.145
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: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -79.839417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.839417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.839417 (E_RNA)
where:
Base-Base interactions energy: -27.628
where: short stacking energy: -27.628
Base-Backbone interact. energy: -0.192
local terms energy: -52.019608
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -236.784980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.784980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.784980 (E_RNA)
where:
Base-Base interactions energy: -159.071
where: short stacking energy: -75.503
Base-Backbone interact. energy: -0.029
local terms energy: -77.685613
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -232.098007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.098007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.098007 (E_RNA)
where:
Base-Base interactions energy: -154.099
where: short stacking energy: -74.950
Base-Backbone interact. energy: -0.001
local terms energy: -77.998172
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -229.701906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.701906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.701906 (E_RNA)
where:
Base-Base interactions energy: -151.793
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.002
local terms energy: -77.906408
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -221.811709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.811709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.811709 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.009
local terms energy: -71.096774
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -219.641523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.641523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.641523 (E_RNA)
where:
Base-Base interactions energy: -140.387
where: short stacking energy: -61.706
Base-Backbone interact. energy: 2.737
local terms energy: -81.991477
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -177.728710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.728710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.728710 (E_RNA)
where:
Base-Base interactions energy: -119.217
where: short stacking energy: -51.304
Base-Backbone interact. energy: -0.002
local terms energy: -58.510170
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -152.126753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.126753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.126753 (E_RNA)
where:
Base-Base interactions energy: -95.054
where: short stacking energy: -38.252
Base-Backbone interact. energy: -0.350
local terms energy: -56.723377
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -169.498560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.498560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.498560 (E_RNA)
where:
Base-Base interactions energy: -109.645
where: short stacking energy: -49.049
Base-Backbone interact. energy: -0.312
local terms energy: -59.541211
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -83.496712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.496712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.496712 (E_RNA)
where:
Base-Base interactions energy: -34.487
where: short stacking energy: -34.487
Base-Backbone interact. energy: -0.198
local terms energy: -48.811716
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.338667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.338667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.338667 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.278
local terms energy: -47.866055
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -241.127908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.127908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.127908 (E_RNA)
where:
Base-Base interactions energy: -160.660
where: short stacking energy: -75.663
Base-Backbone interact. energy: -0.002
local terms energy: -80.465367
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -21.084
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: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -237.389369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.389369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.389369 (E_RNA)
where:
Base-Base interactions energy: -153.555
where: short stacking energy: -73.715
Base-Backbone interact. energy: -0.292
local terms energy: -83.542121
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -22.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -232.540931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.540931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.540931 (E_RNA)
where:
Base-Base interactions energy: -150.241
where: short stacking energy: -66.971
Base-Backbone interact. energy: -0.657
local terms energy: -81.643378
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -20.842
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: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -219.443241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.443241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.443241 (E_RNA)
where:
Base-Base interactions energy: -145.621
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.294
local terms energy: -73.528839
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -221.375340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.375340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.375340 (E_RNA)
where:
Base-Base interactions energy: -152.015
where: short stacking energy: -68.117
Base-Backbone interact. energy: -0.007
local terms energy: -69.353088
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -190.287160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.287160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.287160 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.160
local terms energy: -69.058425
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -10.753
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: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -179.843353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.843353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.843353 (E_RNA)
where:
Base-Base interactions energy: -119.111
where: short stacking energy: -57.391
Base-Backbone interact. energy: -0.515
local terms energy: -60.217758
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -2.754
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: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -153.796387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.796387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.796387 (E_RNA)
where:
Base-Base interactions energy: -100.359
where: short stacking energy: -42.927
Base-Backbone interact. energy: -0.722
local terms energy: -52.714441
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -2.105
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -81.573443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.573443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.573443 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -31.837
Base-Backbone interact. energy: -0.346
local terms energy: -49.390903
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -78.442570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.442570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.442570 (E_RNA)
where:
Base-Base interactions energy: -29.243
where: short stacking energy: -29.689
Base-Backbone interact. energy: -0.099
local terms energy: -49.100422
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -237.333469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.333469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.333469 (E_RNA)
where:
Base-Base interactions energy: -162.666
where: short stacking energy: -75.737
Base-Backbone interact. energy: -0.341
local terms energy: -74.325995
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -230.598859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.598859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.598859 (E_RNA)
where:
Base-Base interactions energy: -147.522
where: short stacking energy: -68.126
Base-Backbone interact. energy: -0.001
local terms energy: -83.075875
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -225.992464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.992464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.992464 (E_RNA)
where:
Base-Base interactions energy: -154.760
where: short stacking energy: -71.664
Base-Backbone interact. energy: -0.413
local terms energy: -70.819236
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -20.022
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: 466
Temperature: 1.050000
Total energy: -216.006791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006791 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.084
local terms energy: -76.573419
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -223.915031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.915031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.915031 (E_RNA)
where:
Base-Base interactions energy: -146.860
where: short stacking energy: -69.149
Base-Backbone interact. energy: -0.001
local terms energy: -77.054038
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -172.776156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.776156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.776156 (E_RNA)
where:
Base-Base interactions energy: -112.932
where: short stacking energy: -52.487
Base-Backbone interact. energy: 0.396
local terms energy: -60.239925
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -10.675
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: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -148.476913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.476913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.476913 (E_RNA)
where:
Base-Base interactions energy: -91.070
where: short stacking energy: -47.351
Base-Backbone interact. energy: -1.284
local terms energy: -56.123147
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -179.185352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.185352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.185352 (E_RNA)
where:
Base-Base interactions energy: -110.132
where: short stacking energy: -59.863
Base-Backbone interact. energy: -0.244
local terms energy: -68.810096
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -11.918
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: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -83.449039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.449039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.449039 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -26.763
Base-Backbone interact. energy: -0.272
local terms energy: -56.414106
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -75.041665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.041665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.041665 (E_RNA)
where:
Base-Base interactions energy: -30.549
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.108
local terms energy: -44.384237
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -243.924525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.924525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.924525 (E_RNA)
where:
Base-Base interactions energy: -163.300
where: short stacking energy: -73.109
Base-Backbone interact. energy: -0.295
local terms energy: -80.328966
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -236.377368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.377368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.377368 (E_RNA)
where:
Base-Base interactions energy: -155.793
where: short stacking energy: -75.389
Base-Backbone interact. energy: -0.005
local terms energy: -80.579593
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -23.833
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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -229.085894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.085894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.085894 (E_RNA)
where:
Base-Base interactions energy: -150.493
where: short stacking energy: -72.745
Base-Backbone interact. energy: -0.028
local terms energy: -78.564898
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -232.085279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.085279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.085279 (E_RNA)
where:
Base-Base interactions energy: -156.847
where: short stacking energy: -70.736
Base-Backbone interact. energy: -0.001
local terms energy: -75.237158
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -213.657078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.657078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.657078 (E_RNA)
where:
Base-Base interactions energy: -141.073
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.009
local terms energy: -72.575078
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -173.226173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.226173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.226173 (E_RNA)
where:
Base-Base interactions energy: -104.103
where: short stacking energy: -47.263
Base-Backbone interact. energy: -0.236
local terms energy: -68.886847
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -174.606380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.606380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.606380 (E_RNA)
where:
Base-Base interactions energy: -110.820
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.649
local terms energy: -63.138154
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -144.546885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.546885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.546885 (E_RNA)
where:
Base-Base interactions energy: -93.282
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.007
local terms energy: -51.258007
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -5.481
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -90.575108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.575108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.575108 (E_RNA)
where:
Base-Base interactions energy: -48.934
where: short stacking energy: -23.052
Base-Backbone interact. energy: -0.224
local terms energy: -41.417066
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -82.915389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.915389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.915389 (E_RNA)
where:
Base-Base interactions energy: -25.415
where: short stacking energy: -24.039
Base-Backbone interact. energy: 0.070
local terms energy: -57.570829
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -234.446513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.446513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.446513 (E_RNA)
where:
Base-Base interactions energy: -156.830
where: short stacking energy: -75.665
Base-Backbone interact. energy: -0.046
local terms energy: -77.570448
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -231.053198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.053198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.053198 (E_RNA)
where:
Base-Base interactions energy: -155.782
where: short stacking energy: -74.302
Base-Backbone interact. energy: -0.004
local terms energy: -75.266906
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -20.563
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: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -233.925818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.925818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.925818 (E_RNA)
where:
Base-Base interactions energy: -157.002
where: short stacking energy: -75.737
Base-Backbone interact. energy: -0.012
local terms energy: -76.911507
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -234.028154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.028154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.028154 (E_RNA)
where:
Base-Base interactions energy: -153.425
where: short stacking energy: -66.849
Base-Backbone interact. energy: -0.714
local terms energy: -79.888994
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -218.373262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.373262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.373262 (E_RNA)
where:
Base-Base interactions energy: -142.630
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.003
local terms energy: -75.739483
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -194.396429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.396429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.396429 (E_RNA)
where:
Base-Base interactions energy: -131.765
where: short stacking energy: -46.497
Base-Backbone interact. energy: -0.392
local terms energy: -62.238599
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -169.402769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.402769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.402769 (E_RNA)
where:
Base-Base interactions energy: -111.209
where: short stacking energy: -54.052
Base-Backbone interact. energy: -0.002
local terms energy: -58.191769
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -165.353093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.353093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.353093 (E_RNA)
where:
Base-Base interactions energy: -102.067
where: short stacking energy: -47.172
Base-Backbone interact. energy: -0.010
local terms energy: -63.276213
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -14.978
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: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -80.124699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.124699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.124699 (E_RNA)
where:
Base-Base interactions energy: -36.718
where: short stacking energy: -31.452
Base-Backbone interact. energy: -0.508
local terms energy: -42.898415
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -83.474015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.474015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.474015 (E_RNA)
where:
Base-Base interactions energy: -38.073
where: short stacking energy: -23.764
Base-Backbone interact. energy: -1.025
local terms energy: -44.375120
where:
bonds (distance) C4'-P energy: -6.477
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -237.997431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.997431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.997431 (E_RNA)
where:
Base-Base interactions energy: -157.356
where: short stacking energy: -73.659
Base-Backbone interact. energy: -0.000
local terms energy: -80.641480
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -232.092900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.092900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.092900 (E_RNA)
where:
Base-Base interactions energy: -152.450
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.007
local terms energy: -79.635702
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.190
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: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -235.145682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.145682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.145682 (E_RNA)
where:
Base-Base interactions energy: -152.239
where: short stacking energy: -67.222
Base-Backbone interact. energy: -0.004
local terms energy: -82.902815
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -11.754
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: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -225.223705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.223705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.223705 (E_RNA)
where:
Base-Base interactions energy: -148.269
where: short stacking energy: -66.268
Base-Backbone interact. energy: -0.080
local terms energy: -76.874783
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -22.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -222.652949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.652949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.652949 (E_RNA)
where:
Base-Base interactions energy: -149.162
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.001
local terms energy: -73.490224
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -19.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -188.970548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.970548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.970548 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -53.668
Base-Backbone interact. energy: -0.144
local terms energy: -63.903652
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -192.747541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.747541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.747541 (E_RNA)
where:
Base-Base interactions energy: -119.419
where: short stacking energy: -58.000
Base-Backbone interact. energy: -0.042
local terms energy: -73.286929
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -78.720380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.720380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.720380 (E_RNA)
where:
Base-Base interactions energy: -27.416
where: short stacking energy: -23.567
Base-Backbone interact. energy: -0.183
local terms energy: -51.121529
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -165.674574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.674574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.674574 (E_RNA)
where:
Base-Base interactions energy: -103.274
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.633
local terms energy: -61.767875
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -82.943480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.943480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.943480 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -32.199
Base-Backbone interact. energy: -1.064
local terms energy: -46.477027
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -10.521
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: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -233.769673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.769673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.769673 (E_RNA)
where:
Base-Base interactions energy: -156.406
where: short stacking energy: -72.517
Base-Backbone interact. energy: -0.066
local terms energy: -77.297956
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -239.522454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.522454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.522454 (E_RNA)
where:
Base-Base interactions energy: -158.078
where: short stacking energy: -74.155
Base-Backbone interact. energy: -0.026
local terms energy: -81.418803
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -13.079
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: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -225.837203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.837203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.837203 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -66.133
Base-Backbone interact. energy: -0.213
local terms energy: -80.720347
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -224.071385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.071385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.071385 (E_RNA)
where:
Base-Base interactions energy: -150.419
where: short stacking energy: -69.943
Base-Backbone interact. energy: -0.137
local terms energy: -73.515300
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -214.061494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.061494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.061494 (E_RNA)
where:
Base-Base interactions energy: -140.047
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.503
local terms energy: -73.511404
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -176.296743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.296743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.296743 (E_RNA)
where:
Base-Base interactions energy: -109.145
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.004
local terms energy: -67.148296
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -12.502
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: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -165.734092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.734092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.734092 (E_RNA)
where:
Base-Base interactions energy: -97.693
where: short stacking energy: -44.273
Base-Backbone interact. energy: -0.063
local terms energy: -67.977885
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -12.930
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: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -121.947615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.947615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.947615 (E_RNA)
where:
Base-Base interactions energy: -69.997
where: short stacking energy: -47.158
Base-Backbone interact. energy: -0.002
local terms energy: -51.949149
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -10.523
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: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -159.697251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.697251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.697251 (E_RNA)
where:
Base-Base interactions energy: -92.583
where: short stacking energy: -42.716
Base-Backbone interact. energy: -0.007
local terms energy: -67.107367
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -8.669
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -79.787180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.787180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.787180 (E_RNA)
where:
Base-Base interactions energy: -33.984
where: short stacking energy: -33.984
Base-Backbone interact. energy: -0.020
local terms energy: -45.783423
where:
bonds (distance) C4'-P energy: -4.142
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -241.022608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.022608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.022608 (E_RNA)
where:
Base-Base interactions energy: -158.647
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.500
local terms energy: -81.875066
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -239.356201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.356201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.356201 (E_RNA)
where:
Base-Base interactions energy: -159.949
where: short stacking energy: -75.500
Base-Backbone interact. energy: -0.004
local terms energy: -79.403249
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -22.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -221.580755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.580755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.580755 (E_RNA)
where:
Base-Base interactions energy: -148.163
where: short stacking energy: -66.745
Base-Backbone interact. energy: -0.006
local terms energy: -73.411349
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -231.240959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.240959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.240959 (E_RNA)
where:
Base-Base interactions energy: -153.551
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.637
local terms energy: -77.052010
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -211.662206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.662206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.662206 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.082
local terms energy: -73.237032
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -150.940592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.940592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.940592 (E_RNA)
where:
Base-Base interactions energy: -95.160
where: short stacking energy: -46.529
Base-Backbone interact. energy: -0.149
local terms energy: -55.631056
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -183.497391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.497391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.497391 (E_RNA)
where:
Base-Base interactions energy: -109.888
where: short stacking energy: -62.137
Base-Backbone interact. energy: -1.206
local terms energy: -72.404037
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -143.679406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.679406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.679406 (E_RNA)
where:
Base-Base interactions energy: -90.166
where: short stacking energy: -46.518
Base-Backbone interact. energy: -0.352
local terms energy: -53.161114
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -6.165
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: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -100.032744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.032744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.032744 (E_RNA)
where:
Base-Base interactions energy: -52.819
where: short stacking energy: -29.671
Base-Backbone interact. energy: 0.489
local terms energy: -47.702584
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -76.132419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.132419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.132419 (E_RNA)
where:
Base-Base interactions energy: -30.381
where: short stacking energy: -30.381
Base-Backbone interact. energy: 0.084
local terms energy: -45.835051
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -239.311720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.311720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.311720 (E_RNA)
where:
Base-Base interactions energy: -156.191
where: short stacking energy: -76.053
Base-Backbone interact. energy: -0.153
local terms energy: -82.968050
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -22.766
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: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -223.954762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.954762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.954762 (E_RNA)
where:
Base-Base interactions energy: -149.932
where: short stacking energy: -67.795
Base-Backbone interact. energy: 0.912
local terms energy: -74.934483
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -227.615797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.615797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.615797 (E_RNA)
where:
Base-Base interactions energy: -152.334
where: short stacking energy: -71.209
Base-Backbone interact. energy: -0.290
local terms energy: -74.991047
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -213.393253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.393253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.393253 (E_RNA)
where:
Base-Base interactions energy: -144.480
where: short stacking energy: -69.833
Base-Backbone interact. energy: -0.269
local terms energy: -68.644323
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -10.779
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: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -222.131162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.131162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.131162 (E_RNA)
where:
Base-Base interactions energy: -148.830
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.000
local terms energy: -73.301320
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -165.556661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.556661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.556661 (E_RNA)
where:
Base-Base interactions energy: -100.907
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.528
local terms energy: -64.121131
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -193.923277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.923277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.923277 (E_RNA)
where:
Base-Base interactions energy: -124.529
where: short stacking energy: -60.012
Base-Backbone interact. energy: -0.051
local terms energy: -69.343568
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.566
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: 8, replica: 4
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -119.518095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.518095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.518095 (E_RNA)
where:
Base-Base interactions energy: -63.782
where: short stacking energy: -36.550
Base-Backbone interact. energy: -0.007
local terms energy: -55.728652
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -90.640952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.640952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.640952 (E_RNA)
where:
Base-Base interactions energy: -42.943
where: short stacking energy: -41.976
Base-Backbone interact. energy: 0.494
local terms energy: -48.192468
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -4.227
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: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -84.207621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207621 (E_RNA)
where:
Base-Base interactions energy: -27.574
where: short stacking energy: -26.378
Base-Backbone interact. energy: -0.059
local terms energy: -56.574483
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -8.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -231.768924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.768924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.768924 (E_RNA)
where:
Base-Base interactions energy: -153.899
where: short stacking energy: -68.088
Base-Backbone interact. energy: -0.007
local terms energy: -77.862822
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -235.287526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.287526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.287526 (E_RNA)
where:
Base-Base interactions energy: -159.600
where: short stacking energy: -78.549
Base-Backbone interact. energy: -0.000
local terms energy: -75.687659
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -220.873616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.873616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.873616 (E_RNA)
where:
Base-Base interactions energy: -150.332
where: short stacking energy: -66.477
Base-Backbone interact. energy: -0.614
local terms energy: -69.927637
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -231.796705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.796705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.796705 (E_RNA)
where:
Base-Base interactions energy: -152.227
where: short stacking energy: -76.606
Base-Backbone interact. energy: -0.011
local terms energy: -79.558490
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -21.479
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: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -218.227216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.227216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.227216 (E_RNA)
where:
Base-Base interactions energy: -146.018
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.730
local terms energy: -71.479251
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -215.216006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.216006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.216006 (E_RNA)
where:
Base-Base interactions energy: -146.246
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.197
local terms energy: -68.772186
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -20.254
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: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -147.071939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.071939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.071939 (E_RNA)
where:
Base-Base interactions energy: -87.626
where: short stacking energy: -44.762
Base-Backbone interact. energy: -0.669
local terms energy: -58.777249
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -4.892
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: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -86.242610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242610 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -29.376
Base-Backbone interact. energy: -0.103
local terms energy: -54.459609
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -77.692033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.692033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.692033 (E_RNA)
where:
Base-Base interactions energy: -29.535
where: short stacking energy: -22.866
Base-Backbone interact. energy: -0.517
local terms energy: -47.640486
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -7.670
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -73.177055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.177055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.177055 (E_RNA)
where:
Base-Base interactions energy: -28.671
where: short stacking energy: -28.671
Base-Backbone interact. energy: -0.111
local terms energy: -44.395255
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -2.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -235.061811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.061811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.061811 (E_RNA)
where:
Base-Base interactions energy: -156.858
where: short stacking energy: -71.679
Base-Backbone interact. energy: -0.347
local terms energy: -77.856745
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -232.675394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.675394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.675394 (E_RNA)
where:
Base-Base interactions energy: -151.536
where: short stacking energy: -71.871
Base-Backbone interact. energy: -0.028
local terms energy: -81.111200
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -226.676811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.676811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.676811 (E_RNA)
where:
Base-Base interactions energy: -152.572
where: short stacking energy: -68.909
Base-Backbone interact. energy: 0.905
local terms energy: -75.010245
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -228.636636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.636636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.636636 (E_RNA)
where:
Base-Base interactions energy: -158.443
where: short stacking energy: -69.746
Base-Backbone interact. energy: -0.039
local terms energy: -70.154614
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -222.648844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.648844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.648844 (E_RNA)
where:
Base-Base interactions energy: -146.796
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.177
local terms energy: -75.675232
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -212.968118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.968118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.968118 (E_RNA)
where:
Base-Base interactions energy: -141.972
where: short stacking energy: -64.737
Base-Backbone interact. energy: -0.001
local terms energy: -70.994901
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -151.660009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.660009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.660009 (E_RNA)
where:
Base-Base interactions energy: -83.656
where: short stacking energy: -41.520
Base-Backbone interact. energy: -0.122
local terms energy: -67.881443
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -11.260
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: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -86.426706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.426706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.426706 (E_RNA)
where:
Base-Base interactions energy: -37.292
where: short stacking energy: -16.094
Base-Backbone interact. energy: 1.055
local terms energy: -50.189198
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: 3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -84.075660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.075660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.075660 (E_RNA)
where:
Base-Base interactions energy: -43.526
where: short stacking energy: -18.532
Base-Backbone interact. energy: -0.576
local terms energy: -39.973248
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -75.432535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.432535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.432535 (E_RNA)
where:
Base-Base interactions energy: -25.318
where: short stacking energy: -25.130
Base-Backbone interact. energy: -0.510
local terms energy: -49.604917
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -4.476
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: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -234.562422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.562422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.562422 (E_RNA)
where:
Base-Base interactions energy: -154.221
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.002
local terms energy: -80.339618
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -23.457
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: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -228.108862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.108862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.108862 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.009
local terms energy: -74.212495
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -21.489
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: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -218.498459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.498459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.498459 (E_RNA)
where:
Base-Base interactions energy: -143.433
where: short stacking energy: -63.543
Base-Backbone interact. energy: -0.007
local terms energy: -75.058104
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -20.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -220.378224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.378224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.378224 (E_RNA)
where:
Base-Base interactions energy: -151.655
where: short stacking energy: -70.990
Base-Backbone interact. energy: -0.064
local terms energy: -68.659338
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -208.300700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.300700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.300700 (E_RNA)
where:
Base-Base interactions energy: -139.751
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.017
local terms energy: -68.533057
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -11.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -218.932811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.932811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.932811 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.112
local terms energy: -72.001667
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -162.504834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.504834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.504834 (E_RNA)
where:
Base-Base interactions energy: -104.899
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.165
local terms energy: -57.441143
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -91.191719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.191719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.191719 (E_RNA)
where:
Base-Base interactions energy: -40.056
where: short stacking energy: -38.799
Base-Backbone interact. energy: -0.125
local terms energy: -51.011129
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -78.905989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.905989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.905989 (E_RNA)
where:
Base-Base interactions energy: -27.328
where: short stacking energy: -27.286
Base-Backbone interact. energy: 0.224
local terms energy: -51.802396
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -85.783913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.783913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.783913 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -28.042
Base-Backbone interact. energy: -0.032
local terms energy: -57.709982
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -239.829420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.829420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.829420 (E_RNA)
where:
Base-Base interactions energy: -162.292
where: short stacking energy: -76.162
Base-Backbone interact. energy: -0.157
local terms energy: -77.379986
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -20.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -233.124165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.124165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.124165 (E_RNA)
where:
Base-Base interactions energy: -157.565
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.630
local terms energy: -74.929465
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.804
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: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -220.511418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.511418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.511418 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -75.551
Base-Backbone interact. energy: -0.427
local terms energy: -68.924115
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -8.145
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -216.607165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.607165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.607165 (E_RNA)
where:
Base-Base interactions energy: -143.159
where: short stacking energy: -68.092
Base-Backbone interact. energy: -0.786
local terms energy: -72.661633
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -216.880159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.880159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.880159 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -72.391
Base-Backbone interact. energy: -0.013
local terms energy: -72.871587
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -210.932046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.932046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.932046 (E_RNA)
where:
Base-Base interactions energy: -139.685
where: short stacking energy: -57.498
Base-Backbone interact. energy: -1.242
local terms energy: -70.004920
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -9.983
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -98.623585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.623585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.623585 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.039
local terms energy: -55.193633
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -8.709
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: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -121.737580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.737580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.737580 (E_RNA)
where:
Base-Base interactions energy: -77.352
where: short stacking energy: -43.964
Base-Backbone interact. energy: 0.493
local terms energy: -44.878200
where:
bonds (distance) C4'-P energy: -5.947
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -8.505
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: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -84.042999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.042999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.042999 (E_RNA)
where:
Base-Base interactions energy: -26.431
where: short stacking energy: -26.431
Base-Backbone interact. energy: -0.005
local terms energy: -57.607329
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -83.136732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.136732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.136732 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.124
local terms energy: -49.818673
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -234.307859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.307859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.307859 (E_RNA)
where:
Base-Base interactions energy: -153.018
where: short stacking energy: -71.503
Base-Backbone interact. energy: -0.060
local terms energy: -81.229269
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -22.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -235.119865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.119865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.119865 (E_RNA)
where:
Base-Base interactions energy: -160.042
where: short stacking energy: -73.928
Base-Backbone interact. energy: -0.186
local terms energy: -74.891654
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -21.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -227.762494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.762494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.762494 (E_RNA)
where:
Base-Base interactions energy: -146.401
where: short stacking energy: -63.927
Base-Backbone interact. energy: -0.001
local terms energy: -81.359850
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -223.972829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.972829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.972829 (E_RNA)
where:
Base-Base interactions energy: -155.522
where: short stacking energy: -73.392
Base-Backbone interact. energy: -0.015
local terms energy: -68.436361
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -20.853
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: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -218.218431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.218431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.218431 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.866
local terms energy: -72.028858
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -224.801339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.801339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.801339 (E_RNA)
where:
Base-Base interactions energy: -152.567
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.006
local terms energy: -72.228547
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -86.919133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.919133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.919133 (E_RNA)
where:
Base-Base interactions energy: -41.999
where: short stacking energy: -31.060
Base-Backbone interact. energy: -0.106
local terms energy: -44.814278
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -6.198
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: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -93.541351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.541351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.541351 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -36.637
Base-Backbone interact. energy: -0.165
local terms energy: -56.064466
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -83.782540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.782540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.782540 (E_RNA)
where:
Base-Base interactions energy: -42.416
where: short stacking energy: -24.901
Base-Backbone interact. energy: -0.101
local terms energy: -41.265484
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -8.786
flat angles C4'-P-C4' energy: -7.393
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -77.015377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.015377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.015377 (E_RNA)
where:
Base-Base interactions energy: -25.774
where: short stacking energy: -19.988
Base-Backbone interact. energy: -0.032
local terms energy: -51.209724
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: 0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -235.640457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.640457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.640457 (E_RNA)
where:
Base-Base interactions energy: -150.071
where: short stacking energy: -68.718
Base-Backbone interact. energy: -0.551
local terms energy: -85.018514
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -11.816
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: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -231.734501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.734501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.734501 (E_RNA)
where:
Base-Base interactions energy: -154.489
where: short stacking energy: -75.398
Base-Backbone interact. energy: 0.035
local terms energy: -77.280304
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -225.664094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.664094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.664094 (E_RNA)
where:
Base-Base interactions energy: -144.115
where: short stacking energy: -69.686
Base-Backbone interact. energy: -0.026
local terms energy: -81.522855
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -21.162
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: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -220.082743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.082743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.082743 (E_RNA)
where:
Base-Base interactions energy: -147.179
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.001
local terms energy: -72.903355
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -217.837497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.837497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.837497 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.590
local terms energy: -72.343692
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -20.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -189.438797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.438797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.438797 (E_RNA)
where:
Base-Base interactions energy: -125.756
where: short stacking energy: -61.839
Base-Backbone interact. energy: -0.084
local terms energy: -63.598792
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -110.487251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.487251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.487251 (E_RNA)
where:
Base-Base interactions energy: -41.319
where: short stacking energy: -41.319
Base-Backbone interact. energy: 0.736
local terms energy: -69.903749
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -10.405
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: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -87.794457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.794457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.794457 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.527
local terms energy: -46.076696
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -5.959
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -83.344997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.344997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.344997 (E_RNA)
where:
Base-Base interactions energy: -34.058
where: short stacking energy: -20.199
Base-Backbone interact. energy: -0.174
local terms energy: -49.112115
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -76.728277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.728277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.728277 (E_RNA)
where:
Base-Base interactions energy: -37.125
where: short stacking energy: -24.949
Base-Backbone interact. energy: -0.143
local terms energy: -39.460108
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -4.873
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: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -239.784192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.784192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.784192 (E_RNA)
where:
Base-Base interactions energy: -154.097
where: short stacking energy: -74.309
Base-Backbone interact. energy: -0.015
local terms energy: -85.671802
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -23.334
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: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -231.828610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.828610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.828610 (E_RNA)
where:
Base-Base interactions energy: -156.816
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.016
local terms energy: -74.996083
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -19.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -233.934569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.934569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.934569 (E_RNA)
where:
Base-Base interactions energy: -151.974
where: short stacking energy: -75.018
Base-Backbone interact. energy: -0.079
local terms energy: -81.881352
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -221.760766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.760766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.760766 (E_RNA)
where:
Base-Base interactions energy: -147.340
where: short stacking energy: -67.735
Base-Backbone interact. energy: -0.002
local terms energy: -74.418763
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -222.762297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.762297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.762297 (E_RNA)
where:
Base-Base interactions energy: -149.526
where: short stacking energy: -67.076
Base-Backbone interact. energy: -0.198
local terms energy: -73.038424
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -167.049427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.049427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.049427 (E_RNA)
where:
Base-Base interactions energy: -104.804
where: short stacking energy: -44.147
Base-Backbone interact. energy: -1.049
local terms energy: -61.196641
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -94.645004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.645004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.645004 (E_RNA)
where:
Base-Base interactions energy: -35.641
where: short stacking energy: -35.641
Base-Backbone interact. energy: -0.094
local terms energy: -58.910159
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -10.806
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: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -85.690324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.690324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.690324 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -37.718
Base-Backbone interact. energy: -0.082
local terms energy: -47.890121
where:
bonds (distance) C4'-P energy: -6.475
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -90.113360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.113360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.113360 (E_RNA)
where:
Base-Base interactions energy: -46.712
where: short stacking energy: -31.251
Base-Backbone interact. energy: -0.042
local terms energy: -43.359121
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -7.521
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: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -100.997366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.997366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.997366 (E_RNA)
where:
Base-Base interactions energy: -55.348
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.177
local terms energy: -45.472513
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: 1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -239.227836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.227836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.227836 (E_RNA)
where:
Base-Base interactions energy: -158.207
where: short stacking energy: -71.475
Base-Backbone interact. energy: -0.028
local terms energy: -80.993361
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -20.399
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: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -235.889773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.889773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.889773 (E_RNA)
where:
Base-Base interactions energy: -153.227
where: short stacking energy: -74.836
Base-Backbone interact. energy: -0.024
local terms energy: -82.638494
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -11.183
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: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -236.997823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.997823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.997823 (E_RNA)
where:
Base-Base interactions energy: -160.226
where: short stacking energy: -75.354
Base-Backbone interact. energy: -0.882
local terms energy: -75.889203
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -211.505345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.505345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.505345 (E_RNA)
where:
Base-Base interactions energy: -136.769
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.011
local terms energy: -74.725390
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -194.528649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.528649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.528649 (E_RNA)
where:
Base-Base interactions energy: -122.389
where: short stacking energy: -64.626
Base-Backbone interact. energy: 2.191
local terms energy: -74.331071
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -224.005430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.005430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.005430 (E_RNA)
where:
Base-Base interactions energy: -149.763
where: short stacking energy: -65.708
Base-Backbone interact. energy: -0.042
local terms energy: -74.200560
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.908
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: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -98.415282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.415282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.415282 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -34.098
Base-Backbone interact. energy: -0.196
local terms energy: -59.816116
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -10.151
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: 8, replica: 3
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -84.721962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.721962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.721962 (E_RNA)
where:
Base-Base interactions energy: -29.071
where: short stacking energy: -17.190
Base-Backbone interact. energy: -0.247
local terms energy: -55.404137
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -83.918789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.918789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.918789 (E_RNA)
where:
Base-Base interactions energy: -33.838
where: short stacking energy: -22.008
Base-Backbone interact. energy: 0.847
local terms energy: -50.928565
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: 0.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -87.075740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.075740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.075740 (E_RNA)
where:
Base-Base interactions energy: -34.906
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.016
local terms energy: -52.153883
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -233.210312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.210312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.210312 (E_RNA)
where:
Base-Base interactions energy: -158.615
where: short stacking energy: -74.231
Base-Backbone interact. energy: -0.132
local terms energy: -74.463197
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -18.637
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: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -235.598573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.598573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.598573 (E_RNA)
where:
Base-Base interactions energy: -152.977
where: short stacking energy: -69.884
Base-Backbone interact. energy: -0.384
local terms energy: -82.237704
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -21.062
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: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -223.559862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.559862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.559862 (E_RNA)
where:
Base-Base interactions energy: -146.274
where: short stacking energy: -63.756
Base-Backbone interact. energy: -0.699
local terms energy: -76.586604
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -225.259295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.259295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259295 (E_RNA)
where:
Base-Base interactions energy: -146.483
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.064
local terms energy: -78.713051
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -210.025087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.025087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.025087 (E_RNA)
where:
Base-Base interactions energy: -142.135
where: short stacking energy: -66.200
Base-Backbone interact. energy: -0.000
local terms energy: -67.890066
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -17.125
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: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -211.005743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.005743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.005743 (E_RNA)
where:
Base-Base interactions energy: -142.732
where: short stacking energy: -66.743
Base-Backbone interact. energy: -0.002
local terms energy: -68.272204
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -96.154051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.154051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.154051 (E_RNA)
where:
Base-Base interactions energy: -42.920
where: short stacking energy: -40.551
Base-Backbone interact. energy: -0.129
local terms energy: -53.104847
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -90.791747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.791747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.791747 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.159
local terms energy: -55.933968
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -91.010518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.010518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.010518 (E_RNA)
where:
Base-Base interactions energy: -41.156
where: short stacking energy: -33.958
Base-Backbone interact. energy: -0.014
local terms energy: -49.840613
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -87.178002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.178002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.178002 (E_RNA)
where:
Base-Base interactions energy: -34.017
where: short stacking energy: -28.806
Base-Backbone interact. energy: -1.100
local terms energy: -52.060472
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -3.813
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: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -232.577478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.577478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.577478 (E_RNA)
where:
Base-Base interactions energy: -151.280
where: short stacking energy: -74.675
Base-Backbone interact. energy: -0.413
local terms energy: -80.885286
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -234.046391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.046391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.046391 (E_RNA)
where:
Base-Base interactions energy: -155.980
where: short stacking energy: -75.733
Base-Backbone interact. energy: -0.017
local terms energy: -78.049313
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -227.045583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.045583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.045583 (E_RNA)
where:
Base-Base interactions energy: -148.003
where: short stacking energy: -70.539
Base-Backbone interact. energy: -0.193
local terms energy: -78.849873
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -20.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -228.984302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.984302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.984302 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -72.757
Base-Backbone interact. energy: -0.099
local terms energy: -72.459302
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -220.116581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.116581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.116581 (E_RNA)
where:
Base-Base interactions energy: -153.118
where: short stacking energy: -74.686
Base-Backbone interact. energy: -0.044
local terms energy: -66.954433
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -20.557
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: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -217.073188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.073188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.073188 (E_RNA)
where:
Base-Base interactions energy: -144.818
where: short stacking energy: -66.194
Base-Backbone interact. energy: -0.962
local terms energy: -71.293646
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -89.743321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.743321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.743321 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -37.166
Base-Backbone interact. energy: -0.040
local terms energy: -51.793837
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -4.079
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: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -86.649552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.649552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.649552 (E_RNA)
where:
Base-Base interactions energy: -33.664
where: short stacking energy: -28.941
Base-Backbone interact. energy: -0.292
local terms energy: -52.693364
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -5.696
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: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -87.921089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.921089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.921089 (E_RNA)
where:
Base-Base interactions energy: -37.323
where: short stacking energy: -26.174
Base-Backbone interact. energy: -0.414
local terms energy: -50.184900
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.092
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: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -83.150852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.150852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.150852 (E_RNA)
where:
Base-Base interactions energy: -36.808
where: short stacking energy: -36.473
Base-Backbone interact. energy: 0.426
local terms energy: -46.768992
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -5.615
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: 1, replica: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -229.271664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.271664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.271664 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -63.371
Base-Backbone interact. energy: -0.037
local terms energy: -76.606589
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -226.998780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.998780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.998780 (E_RNA)
where:
Base-Base interactions energy: -151.828
where: short stacking energy: -72.498
Base-Backbone interact. energy: -0.345
local terms energy: -74.826229
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -12.551
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: 483
Temperature: 1.000000
Total energy: -217.060398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.060398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.060398 (E_RNA)
where:
Base-Base interactions energy: -141.435
where: short stacking energy: -60.866
Base-Backbone interact. energy: -1.086
local terms energy: -74.539313
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -12.875
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: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -227.861945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.861945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.861945 (E_RNA)
where:
Base-Base interactions energy: -152.517
where: short stacking energy: -68.835
Base-Backbone interact. energy: 0.118
local terms energy: -75.462524
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -222.600362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.600362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.600362 (E_RNA)
where:
Base-Base interactions energy: -148.267
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.047
local terms energy: -74.285946
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -215.696082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.696082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.696082 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -63.866
Base-Backbone interact. energy: -0.001
local terms energy: -76.090692
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -128.401276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.401276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.401276 (E_RNA)
where:
Base-Base interactions energy: -75.770
where: short stacking energy: -39.385
Base-Backbone interact. energy: 1.598
local terms energy: -54.229036
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -5.688
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: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -92.742611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.742611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.742611 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.141
local terms energy: -51.461259
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -6.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -83.440771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.440771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.440771 (E_RNA)
where:
Base-Base interactions energy: -31.808
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.041
local terms energy: -51.591640
where:
bonds (distance) C4'-P energy: -7.434
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -76.870087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.870087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.870087 (E_RNA)
where:
Base-Base interactions energy: -22.316
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.138
local terms energy: -54.416463
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: 2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -241.309767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.309767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.309767 (E_RNA)
where:
Base-Base interactions energy: -159.931
where: short stacking energy: -76.374
Base-Backbone interact. energy: -0.219
local terms energy: -81.159928
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -22.350
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: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -231.176698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.176698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.176698 (E_RNA)
where:
Base-Base interactions energy: -152.306
where: short stacking energy: -68.167
Base-Backbone interact. energy: -0.388
local terms energy: -78.482307
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -227.954448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.954448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.954448 (E_RNA)
where:
Base-Base interactions energy: -145.430
where: short stacking energy: -72.292
Base-Backbone interact. energy: -0.012
local terms energy: -82.512846
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -212.510225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.510225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.510225 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.282
local terms energy: -72.439814
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -8.553
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: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -220.425130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425130 (E_RNA)
where:
Base-Base interactions energy: -145.800
where: short stacking energy: -63.188
Base-Backbone interact. energy: -0.015
local terms energy: -74.609785
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -216.158464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.158464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.158464 (E_RNA)
where:
Base-Base interactions energy: -143.190
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.100
local terms energy: -72.868353
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -19.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -124.268195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.268195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.268195 (E_RNA)
where:
Base-Base interactions energy: -59.062
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.494
local terms energy: -64.712910
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -8.312
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -9.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -94.296646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.296646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.296646 (E_RNA)
where:
Base-Base interactions energy: -40.825
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.543
local terms energy: -52.927857
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -82.461812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.461812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.461812 (E_RNA)
where:
Base-Base interactions energy: -30.225
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.280
local terms energy: -51.956453
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -2.609
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: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -86.718958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.718958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.718958 (E_RNA)
where:
Base-Base interactions energy: -48.847
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.532
local terms energy: -37.339593
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -239.050579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.050579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.050579 (E_RNA)
where:
Base-Base interactions energy: -158.974
where: short stacking energy: -78.350
Base-Backbone interact. energy: -0.137
local terms energy: -79.940085
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -236.484936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.484936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.484936 (E_RNA)
where:
Base-Base interactions energy: -155.966
where: short stacking energy: -75.212
Base-Backbone interact. energy: -0.037
local terms energy: -80.481983
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -228.771943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.771943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.771943 (E_RNA)
where:
Base-Base interactions energy: -156.604
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.007
local terms energy: -72.160551
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -20.853
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: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -217.041565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.041565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.041565 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -68.956
Base-Backbone interact. energy: -0.018
local terms energy: -74.954601
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -215.205735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.205735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.205735 (E_RNA)
where:
Base-Base interactions energy: -140.843
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.311
local terms energy: -74.051950
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -19.946
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: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -219.378762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.378762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.378762 (E_RNA)
where:
Base-Base interactions energy: -143.138
where: short stacking energy: -64.554
Base-Backbone interact. energy: 0.663
local terms energy: -76.902885
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -171.881462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.881462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.881462 (E_RNA)
where:
Base-Base interactions energy: -106.561
where: short stacking energy: -53.919
Base-Backbone interact. energy: -0.113
local terms energy: -65.207473
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -90.525657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.525657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.525657 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.340
local terms energy: -45.992186
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -7.307
flat angles P-C4'-P energy: -11.144
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: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -85.234851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.234851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.234851 (E_RNA)
where:
Base-Base interactions energy: -35.592
where: short stacking energy: -32.825
Base-Backbone interact. energy: -0.011
local terms energy: -49.631479
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -2.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -73.302000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.302000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.302000 (E_RNA)
where:
Base-Base interactions energy: -27.222
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.026
local terms energy: -46.053938
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -8.339
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: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -233.260939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.260939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.260939 (E_RNA)
where:
Base-Base interactions energy: -148.092
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.287
local terms energy: -84.882056
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -229.644485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.644485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.644485 (E_RNA)
where:
Base-Base interactions energy: -157.001
where: short stacking energy: -70.081
Base-Backbone interact. energy: -0.200
local terms energy: -72.443297
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -19.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -230.671124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.671124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.671124 (E_RNA)
where:
Base-Base interactions energy: -152.502
where: short stacking energy: -73.849
Base-Backbone interact. energy: -0.208
local terms energy: -77.961043
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -213.088556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.088556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.088556 (E_RNA)
where:
Base-Base interactions energy: -143.022
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.015
local terms energy: -70.051473
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -225.563607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.563607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.563607 (E_RNA)
where:
Base-Base interactions energy: -151.072
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.627
local terms energy: -73.864595
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -22.836
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: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -215.405488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.405488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.405488 (E_RNA)
where:
Base-Base interactions energy: -147.183
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.020
local terms energy: -68.201938
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -178.200575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.200575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.200575 (E_RNA)
where:
Base-Base interactions energy: -114.053
where: short stacking energy: -49.917
Base-Backbone interact. energy: -0.026
local terms energy: -64.121839
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -91.957831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.957831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.957831 (E_RNA)
where:
Base-Base interactions energy: -35.157
where: short stacking energy: -33.267
Base-Backbone interact. energy: -0.057
local terms energy: -56.744055
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -9.460
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: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -85.563832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.563832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.563832 (E_RNA)
where:
Base-Base interactions energy: -32.599
where: short stacking energy: -32.369
Base-Backbone interact. energy: -0.752
local terms energy: -52.212884
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -7.682
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: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -76.774860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.774860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.774860 (E_RNA)
where:
Base-Base interactions energy: -26.462
where: short stacking energy: -20.158
Base-Backbone interact. energy: -0.312
local terms energy: -50.001139
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -233.374994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.374994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.374994 (E_RNA)
where:
Base-Base interactions energy: -153.162
where: short stacking energy: -72.609
Base-Backbone interact. energy: -0.128
local terms energy: -80.085105
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -236.273705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.273705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.273705 (E_RNA)
where:
Base-Base interactions energy: -159.056
where: short stacking energy: -69.731
Base-Backbone interact. energy: -0.575
local terms energy: -76.642402
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -219.329604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329604 (E_RNA)
where:
Base-Base interactions energy: -145.336
where: short stacking energy: -59.608
Base-Backbone interact. energy: -1.081
local terms energy: -72.912073
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -222.441345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.441345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.441345 (E_RNA)
where:
Base-Base interactions energy: -140.588
where: short stacking energy: -72.981
Base-Backbone interact. energy: -0.159
local terms energy: -81.694539
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -13.281
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: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -214.375771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.375771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.375771 (E_RNA)
where:
Base-Base interactions energy: -143.065
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.124
local terms energy: -71.186661
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -204.606033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.606033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.606033 (E_RNA)
where:
Base-Base interactions energy: -137.667
where: short stacking energy: -56.871
Base-Backbone interact. energy: -0.118
local terms energy: -66.820545
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -17.997
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: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -151.324280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.324280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.324280 (E_RNA)
where:
Base-Base interactions energy: -94.931
where: short stacking energy: -40.953
Base-Backbone interact. energy: -0.825
local terms energy: -55.567319
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -6.037
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: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -85.630512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.630512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.630512 (E_RNA)
where:
Base-Base interactions energy: -27.052
where: short stacking energy: -20.429
Base-Backbone interact. energy: -0.078
local terms energy: -58.501275
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -2.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -75.385822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.385822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.385822 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.728
local terms energy: -44.186218
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -1.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -73.285643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.285643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.285643 (E_RNA)
where:
Base-Base interactions energy: -22.042
where: short stacking energy: -18.680
Base-Backbone interact. energy: -0.481
local terms energy: -50.762648
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -233.950248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.950248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.950248 (E_RNA)
where:
Base-Base interactions energy: -159.550
where: short stacking energy: -73.822
Base-Backbone interact. energy: -0.269
local terms energy: -74.130666
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -9.247
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -20.697
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: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -226.883685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.883685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.883685 (E_RNA)
where:
Base-Base interactions energy: -149.202
where: short stacking energy: -66.912
Base-Backbone interact. energy: -0.664
local terms energy: -77.017074
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -226.340522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.340522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.340522 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -67.287
Base-Backbone interact. energy: -0.157
local terms energy: -81.350026
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -215.511028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.511028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.511028 (E_RNA)
where:
Base-Base interactions energy: -141.854
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.767
local terms energy: -72.889854
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -217.421294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.421294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.421294 (E_RNA)
where:
Base-Base interactions energy: -143.713
where: short stacking energy: -63.366
Base-Backbone interact. energy: -0.724
local terms energy: -72.984598
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -17.589
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: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -184.435409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.435409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.435409 (E_RNA)
where:
Base-Base interactions energy: -114.193
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.291
local terms energy: -69.950512
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -147.200867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.200867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.200867 (E_RNA)
where:
Base-Base interactions energy: -89.086
where: short stacking energy: -37.572
Base-Backbone interact. energy: -0.207
local terms energy: -57.908228
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -0.307
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -98.369039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.369039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.369039 (E_RNA)
where:
Base-Base interactions energy: -35.857
where: short stacking energy: -30.435
Base-Backbone interact. energy: 1.807
local terms energy: -64.319354
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -12.641
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: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -90.553966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.553966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.553966 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -38.552
Base-Backbone interact. energy: -0.078
local terms energy: -51.872757
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -77.518084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.518084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.518084 (E_RNA)
where:
Base-Base interactions energy: -32.119
where: short stacking energy: -31.205
Base-Backbone interact. energy: -0.059
local terms energy: -45.340102
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -8.491
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -239.270434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.270434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.270434 (E_RNA)
where:
Base-Base interactions energy: -155.959
where: short stacking energy: -78.203
Base-Backbone interact. energy: -0.163
local terms energy: -83.147753
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -229.213129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.213129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.213129 (E_RNA)
where:
Base-Base interactions energy: -156.306
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.002
local terms energy: -72.904872
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -11.258
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: 3, replica: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -227.477903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.477903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.477903 (E_RNA)
where:
Base-Base interactions energy: -150.569
where: short stacking energy: -73.482
Base-Backbone interact. energy: -0.002
local terms energy: -76.906582
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -225.818673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.818673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.818673 (E_RNA)
where:
Base-Base interactions energy: -151.589
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.084
local terms energy: -74.145295
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -204.051234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.051234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.051234 (E_RNA)
where:
Base-Base interactions energy: -145.149
where: short stacking energy: -62.739
Base-Backbone interact. energy: 0.441
local terms energy: -59.342895
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -4.863
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: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -155.586970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.586970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.586970 (E_RNA)
where:
Base-Base interactions energy: -92.600
where: short stacking energy: -40.727
Base-Backbone interact. energy: -0.296
local terms energy: -62.691575
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -172.590938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.590938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.590938 (E_RNA)
where:
Base-Base interactions energy: -103.434
where: short stacking energy: -51.996
Base-Backbone interact. energy: -0.615
local terms energy: -68.541800
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.186
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: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -103.805521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.805521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.805521 (E_RNA)
where:
Base-Base interactions energy: -57.355
where: short stacking energy: -28.787
Base-Backbone interact. energy: -1.247
local terms energy: -45.202992
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -3.864
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: 489
Temperature: 1.300000
Total energy: -83.624264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.624264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.624264 (E_RNA)
where:
Base-Base interactions energy: -30.242
where: short stacking energy: -29.287
Base-Backbone interact. energy: -0.186
local terms energy: -53.195895
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -81.835009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.835009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.835009 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -34.097
Base-Backbone interact. energy: -1.261
local terms energy: -46.309572
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -7.050
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -242.192308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.192308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.192308 (E_RNA)
where:
Base-Base interactions energy: -162.338
where: short stacking energy: -77.199
Base-Backbone interact. energy: -0.004
local terms energy: -79.851102
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -9.391
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: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -231.115462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.115462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.115462 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -68.515
Base-Backbone interact. energy: -1.116
local terms energy: -79.910928
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -12.097
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: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -229.730084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.730084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.730084 (E_RNA)
where:
Base-Base interactions energy: -154.342
where: short stacking energy: -74.598
Base-Backbone interact. energy: -0.002
local terms energy: -75.385593
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -227.430980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.430980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.430980 (E_RNA)
where:
Base-Base interactions energy: -147.011
where: short stacking energy: -67.972
Base-Backbone interact. energy: -0.006
local terms energy: -80.414168
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -219.810141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.810141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.810141 (E_RNA)
where:
Base-Base interactions energy: -141.606
where: short stacking energy: -70.264
Base-Backbone interact. energy: -0.010
local terms energy: -78.194371
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -22.922
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: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -169.711027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.711027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.711027 (E_RNA)
where:
Base-Base interactions energy: -104.809
where: short stacking energy: -50.014
Base-Backbone interact. energy: -0.119
local terms energy: -64.782716
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -177.235556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.235556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.235556 (E_RNA)
where:
Base-Base interactions energy: -105.373
where: short stacking energy: -47.433
Base-Backbone interact. energy: -0.100
local terms energy: -71.762325
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -14.154
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: 8, replica: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -114.732513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.732513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.732513 (E_RNA)
where:
Base-Base interactions energy: -62.908
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.379
local terms energy: -51.445187
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -9.301
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: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -92.754722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.754722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.754722 (E_RNA)
where:
Base-Base interactions energy: -39.913
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.016
local terms energy: -52.826178
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -77.501788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.501788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.501788 (E_RNA)
where:
Base-Base interactions energy: -32.771
where: short stacking energy: -20.570
Base-Backbone interact. energy: -0.217
local terms energy: -44.513969
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -236.799055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.799055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.799055 (E_RNA)
where:
Base-Base interactions energy: -160.014
where: short stacking energy: -73.174
Base-Backbone interact. energy: -0.291
local terms energy: -76.493670
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -228.681507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.681507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.681507 (E_RNA)
where:
Base-Base interactions energy: -152.479
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.074
local terms energy: -76.128666
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -230.394059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.394059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.394059 (E_RNA)
where:
Base-Base interactions energy: -151.581
where: short stacking energy: -71.933
Base-Backbone interact. energy: -0.463
local terms energy: -78.349719
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -220.637275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.637275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.637275 (E_RNA)
where:
Base-Base interactions energy: -159.078
where: short stacking energy: -75.360
Base-Backbone interact. energy: 1.380
local terms energy: -62.939231
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -8.018
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -20.836
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: 491
Temperature: 1.100000
Total energy: -222.142991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.142991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142991 (E_RNA)
where:
Base-Base interactions energy: -148.997
where: short stacking energy: -68.863
Base-Backbone interact. energy: -0.001
local terms energy: -73.144858
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -206.050764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.050764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.050764 (E_RNA)
where:
Base-Base interactions energy: -140.643
where: short stacking energy: -64.168
Base-Backbone interact. energy: -0.003
local terms energy: -65.404434
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -16.523
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: 7
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -174.690515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.690515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.690515 (E_RNA)
where:
Base-Base interactions energy: -118.998
where: short stacking energy: -58.560
Base-Backbone interact. energy: -0.001
local terms energy: -55.691572
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -85.722689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.722689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.722689 (E_RNA)
where:
Base-Base interactions energy: -39.469
where: short stacking energy: -21.725
Base-Backbone interact. energy: -0.287
local terms energy: -45.966937
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -81.821076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.821076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.821076 (E_RNA)
where:
Base-Base interactions energy: -27.234
where: short stacking energy: -25.159
Base-Backbone interact. energy: -0.217
local terms energy: -54.370030
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -76.778833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.778833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.778833 (E_RNA)
where:
Base-Base interactions energy: -20.099
where: short stacking energy: -11.075
Base-Backbone interact. energy: -0.401
local terms energy: -56.279129
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: 1.257
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: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -234.456709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.456709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.456709 (E_RNA)
where:
Base-Base interactions energy: -156.292
where: short stacking energy: -77.374
Base-Backbone interact. energy: 0.309
local terms energy: -78.473915
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -20.266
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: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -235.121371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.121371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.121371 (E_RNA)
where:
Base-Base interactions energy: -158.136
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.007
local terms energy: -76.978580
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.234
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: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -222.082426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.082426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.082426 (E_RNA)
where:
Base-Base interactions energy: -146.291
where: short stacking energy: -66.665
Base-Backbone interact. energy: -0.000
local terms energy: -75.790738
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -223.215524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.215524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.215524 (E_RNA)
where:
Base-Base interactions energy: -155.671
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.310
local terms energy: -67.235117
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -20.974
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: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -206.011437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.011437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.011437 (E_RNA)
where:
Base-Base interactions energy: -133.466
where: short stacking energy: -57.350
Base-Backbone interact. energy: -0.001
local terms energy: -72.544384
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -13.170
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: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -203.092875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.092875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.092875 (E_RNA)
where:
Base-Base interactions energy: -130.949
where: short stacking energy: -53.367
Base-Backbone interact. energy: -1.300
local terms energy: -70.844698
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -16.248
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: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -176.541918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.541918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.541918 (E_RNA)
where:
Base-Base interactions energy: -112.720
where: short stacking energy: -49.740
Base-Backbone interact. energy: -0.005
local terms energy: -63.816680
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -89.524642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.524642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.524642 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.064
local terms energy: -45.696756
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -8.800
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: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -84.140058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.140058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.140058 (E_RNA)
where:
Base-Base interactions energy: -31.980
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.140
local terms energy: -52.019785
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -3.739
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: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -82.201609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.201609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.201609 (E_RNA)
where:
Base-Base interactions energy: -36.320
where: short stacking energy: -27.704
Base-Backbone interact. energy: -0.066
local terms energy: -45.816389
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -238.032608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.032608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.032608 (E_RNA)
where:
Base-Base interactions energy: -153.446
where: short stacking energy: -75.826
Base-Backbone interact. energy: -0.007
local terms energy: -84.579463
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -233.216776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.216776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.216776 (E_RNA)
where:
Base-Base interactions energy: -151.493
where: short stacking energy: -75.189
Base-Backbone interact. energy: 0.401
local terms energy: -82.124955
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -14.486
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: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -221.474803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.474803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.474803 (E_RNA)
where:
Base-Base interactions energy: -151.212
where: short stacking energy: -67.639
Base-Backbone interact. energy: -0.002
local terms energy: -70.261007
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -224.668214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.668214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.668214 (E_RNA)
where:
Base-Base interactions energy: -148.831
where: short stacking energy: -62.601
Base-Backbone interact. energy: -0.035
local terms energy: -75.802261
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -19.860
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: 5, replica: 6
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -194.879940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.879940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.879940 (E_RNA)
where:
Base-Base interactions energy: -129.822
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.003
local terms energy: -65.054423
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -186.457190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.457190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.457190 (E_RNA)
where:
Base-Base interactions energy: -118.491
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.111
local terms energy: -67.855091
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -8.369
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: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -206.503739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.503739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.503739 (E_RNA)
where:
Base-Base interactions energy: -139.958
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.135
local terms energy: -66.410438
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -97.490471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.490471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.490471 (E_RNA)
where:
Base-Base interactions energy: -47.586
where: short stacking energy: -39.049
Base-Backbone interact. energy: -0.743
local terms energy: -49.161856
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -7.398
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -93.308663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.308663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.308663 (E_RNA)
where:
Base-Base interactions energy: -41.549
where: short stacking energy: -24.659
Base-Backbone interact. energy: -0.097
local terms energy: -51.662737
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -77.499143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.499143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.499143 (E_RNA)
where:
Base-Base interactions energy: -27.472
where: short stacking energy: -27.472
Base-Backbone interact. energy: -0.093
local terms energy: -49.933474
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -238.455391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.455391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.455391 (E_RNA)
where:
Base-Base interactions energy: -154.483
where: short stacking energy: -77.448
Base-Backbone interact. energy: -0.002
local terms energy: -83.970764
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -236.905978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.905978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.905978 (E_RNA)
where:
Base-Base interactions energy: -153.973
where: short stacking energy: -74.246
Base-Backbone interact. energy: -0.492
local terms energy: -82.440433
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -224.775336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.775336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.775336 (E_RNA)
where:
Base-Base interactions energy: -147.226
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.038
local terms energy: -77.511823
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -19.621
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: 1
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -221.469497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.469497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.469497 (E_RNA)
where:
Base-Base interactions energy: -151.427
where: short stacking energy: -66.672
Base-Backbone interact. energy: -0.314
local terms energy: -69.728790
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -184.969012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.969012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.969012 (E_RNA)
where:
Base-Base interactions energy: -116.166
where: short stacking energy: -45.028
Base-Backbone interact. energy: -0.839
local terms energy: -67.964476
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -14.725
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: 6, replica: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -216.169240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.169240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.169240 (E_RNA)
where:
Base-Base interactions energy: -141.538
where: short stacking energy: -67.146
Base-Backbone interact. energy: -0.978
local terms energy: -73.652820
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.754
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: 7, replica: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -100.897181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.897181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.897181 (E_RNA)
where:
Base-Base interactions energy: -45.309
where: short stacking energy: -35.634
Base-Backbone interact. energy: -0.097
local terms energy: -55.491117
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -201.476523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.476523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.476523 (E_RNA)
where:
Base-Base interactions energy: -133.880
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.005
local terms energy: -67.591260
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.405
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: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -102.974120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.974120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.974120 (E_RNA)
where:
Base-Base interactions energy: -50.173
where: short stacking energy: -24.129
Base-Backbone interact. energy: -0.031
local terms energy: -52.770706
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -1.839
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: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -87.131888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.131888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.131888 (E_RNA)
where:
Base-Base interactions energy: -53.914
where: short stacking energy: -22.598
Base-Backbone interact. energy: -0.221
local terms energy: -32.997288
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -7.369
flat angles P-C4'-P energy: 0.094
tors. eta vs tors. theta energy: 4.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -234.539095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.539095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.539095 (E_RNA)
where:
Base-Base interactions energy: -152.241
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.503
local terms energy: -81.795318
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -231.154286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.154286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.154286 (E_RNA)
where:
Base-Base interactions energy: -157.037
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.674
local terms energy: -73.443066
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -10.353
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -222.342509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.342509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.342509 (E_RNA)
where:
Base-Base interactions energy: -149.063
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.003
local terms energy: -73.276278
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -19.781
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: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -219.542336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.542336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.542336 (E_RNA)
where:
Base-Base interactions energy: -148.056
where: short stacking energy: -74.312
Base-Backbone interact. energy: -0.091
local terms energy: -71.394933
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -187.453586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.453586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.453586 (E_RNA)
where:
Base-Base interactions energy: -120.372
where: short stacking energy: -59.386
Base-Backbone interact. energy: -0.229
local terms energy: -66.852185
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -219.881511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.881511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.881511 (E_RNA)
where:
Base-Base interactions energy: -144.793
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.005
local terms energy: -75.082998
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -95.647316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.647316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.647316 (E_RNA)
where:
Base-Base interactions energy: -39.852
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.388
local terms energy: -55.407684
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -2.668
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: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -193.988696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.988696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.988696 (E_RNA)
where:
Base-Base interactions energy: -131.694
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.116
local terms energy: -62.178589
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -106.915580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.915580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.915580 (E_RNA)
where:
Base-Base interactions energy: -56.216
where: short stacking energy: -20.446
Base-Backbone interact. energy: 0.041
local terms energy: -50.741242
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -89.964091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.964091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.964091 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -33.711
Base-Backbone interact. energy: -0.343
local terms energy: -54.495194
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -239.399604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.399604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.399604 (E_RNA)
where:
Base-Base interactions energy: -159.162
where: short stacking energy: -74.929
Base-Backbone interact. energy: -0.221
local terms energy: -80.016702
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -11.026
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: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -233.980459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.980459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.980459 (E_RNA)
where:
Base-Base interactions energy: -158.141
where: short stacking energy: -76.017
Base-Backbone interact. energy: -0.490
local terms energy: -75.349046
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -22.628
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: 496
Temperature: 1.000000
Total energy: -230.204205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.204205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.204205 (E_RNA)
where:
Base-Base interactions energy: -152.523
where: short stacking energy: -72.912
Base-Backbone interact. energy: -0.588
local terms energy: -77.093243
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -217.822833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.822833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.822833 (E_RNA)
where:
Base-Base interactions energy: -141.830
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.000
local terms energy: -75.992570
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -220.892148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.892148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.892148 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -63.353
Base-Backbone interact. energy: -0.056
local terms energy: -74.099641
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -20.023
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: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -174.683789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.683789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.683789 (E_RNA)
where:
Base-Base interactions energy: -114.627
where: short stacking energy: -54.059
Base-Backbone interact. energy: -0.014
local terms energy: -60.043080
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -13.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -174.860929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.860929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.860929 (E_RNA)
where:
Base-Base interactions energy: -111.127
where: short stacking energy: -55.561
Base-Backbone interact. energy: -0.660
local terms energy: -63.073481
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -95.049887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.049887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.049887 (E_RNA)
where:
Base-Base interactions energy: -40.677
where: short stacking energy: -35.925
Base-Backbone interact. energy: 0.125
local terms energy: -54.498172
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -120.497149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.497149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.497149 (E_RNA)
where:
Base-Base interactions energy: -77.372
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.001
local terms energy: -43.124062
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -4.815
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -80.946888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.946888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.946888 (E_RNA)
where:
Base-Base interactions energy: -35.264
where: short stacking energy: -17.055
Base-Backbone interact. energy: -0.268
local terms energy: -45.415457
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -9.638
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -4.927
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: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -233.600424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.600424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.600424 (E_RNA)
where:
Base-Base interactions energy: -152.720
where: short stacking energy: -66.499
Base-Backbone interact. energy: 0.137
local terms energy: -81.017488
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -237.298135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.298135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.298135 (E_RNA)
where:
Base-Base interactions energy: -153.123
where: short stacking energy: -73.171
Base-Backbone interact. energy: -0.015
local terms energy: -84.159953
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -23.321
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: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -231.907860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.907860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.907860 (E_RNA)
where:
Base-Base interactions energy: -152.364
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.016
local terms energy: -79.527542
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -214.831829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.831829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.831829 (E_RNA)
where:
Base-Base interactions energy: -139.367
where: short stacking energy: -64.950
Base-Backbone interact. energy: -0.224
local terms energy: -75.241666
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -219.277878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.277878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.277878 (E_RNA)
where:
Base-Base interactions energy: -147.738
where: short stacking energy: -62.866
Base-Backbone interact. energy: -0.121
local terms energy: -71.418027
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -18.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -181.831962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.831962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.831962 (E_RNA)
where:
Base-Base interactions energy: -121.247
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.414
local terms energy: -60.171017
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -156.838693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.838693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.838693 (E_RNA)
where:
Base-Base interactions energy: -97.021
where: short stacking energy: -45.395
Base-Backbone interact. energy: -0.479
local terms energy: -59.338857
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -120.051421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.051421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.051421 (E_RNA)
where:
Base-Base interactions energy: -67.909
where: short stacking energy: -39.959
Base-Backbone interact. energy: -0.050
local terms energy: -52.091845
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -93.486846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486846 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -42.761
Base-Backbone interact. energy: -0.043
local terms energy: -50.682739
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -8.383
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: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -72.045168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.045168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.045168 (E_RNA)
where:
Base-Base interactions energy: -32.076
where: short stacking energy: -13.809
Base-Backbone interact. energy: -0.357
local terms energy: -39.611516
where:
bonds (distance) C4'-P energy: -5.755
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: 2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/SLEV-bf5cf869_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -239.179715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.179715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.179715 (E_RNA)
where:
Base-Base interactions energy: -157.474
where: short stacking energy: -75.543
Base-Backbone interact. energy: -0.001
local terms energy: -81.704920
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -238.843771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.843771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.843771 (E_RNA)
where:
Base-Base interactions energy: -153.466
where: short stacking energy: -76.334
Base-Backbone interact. energy: -0.172
local terms energy: -85.205922
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -23.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -221.122659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.122659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.122659 (E_RNA)
where:
Base-Base interactions energy: -144.067
where: short stacking energy: -65.802
Base-Backbone interact. energy: -0.000
local terms energy: -77.054829
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -12.899
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: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -225.901578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.901578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.901578 (E_RNA)
where:
Base-Base interactions energy: -151.461
where: short stacking energy: -71.672
Base-Backbone interact. energy: -0.003
local terms energy: -74.438191
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -216.032961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.032961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.032961 (E_RNA)
where:
Base-Base interactions energy: -147.319
where: short stacking energy: -72.794
Base-Backbone interact. energy: -0.650
local terms energy: -68.063608
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -19.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -195.739513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.739513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.739513 (E_RNA)
where:
Base-Base interactions energy: -130.444
where: short stacking energy: -64.922
Base-Backbone interact. energy: -0.024
local terms energy: -65.271850
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -158.560880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.560880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.560880 (E_RNA)
where:
Base-Base interactions energy: -99.531
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.060
local terms energy: -58.969570
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -130.346697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.346697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.346697 (E_RNA)
where:
Base-Base interactions energy: -80.757
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.716
local terms energy: -48.873622
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -7.539
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: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -80.085748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.085748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.085748 (E_RNA)
where:
Base-Base interactions energy: -32.320
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.147
local terms energy: -47.618203
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -76.624642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.624642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.624642 (E_RNA)
where:
Base-Base interactions energy: -25.218
where: short stacking energy: -24.221
Base-Backbone interact. energy: -1.140
local terms energy: -50.266980
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -236.058943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.058943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.058943 (E_RNA)
where:
Base-Base interactions energy: -157.447
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.033
local terms energy: -78.578828
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -215.563717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.563717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.563717 (E_RNA)
where:
Base-Base interactions energy: -142.505
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.001
local terms energy: -73.057682
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.813
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: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -220.522600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.522600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.522600 (E_RNA)
where:
Base-Base interactions energy: -148.595
where: short stacking energy: -69.873
Base-Backbone interact. energy: -0.005
local terms energy: -71.922451
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -11.776
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: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -222.216443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.216443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.216443 (E_RNA)
where:
Base-Base interactions energy: -150.846
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.001
local terms energy: -71.369542
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -210.197127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.197127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.197127 (E_RNA)
where:
Base-Base interactions energy: -141.991
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.078
local terms energy: -68.127606
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -213.578765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.578765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.578765 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.470
local terms energy: -74.393933
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -167.085899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.085899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.085899 (E_RNA)
where:
Base-Base interactions energy: -113.818
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.117
local terms energy: -53.151576
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -2.187
tors. eta vs tors. theta energy: -7.324
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: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -91.218208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.218208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.218208 (E_RNA)
where:
Base-Base interactions energy: -39.633
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.172
local terms energy: -51.413270
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -7.834
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: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -115.288171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.288171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.288171 (E_RNA)
where:
Base-Base interactions energy: -66.249
where: short stacking energy: -33.461
Base-Backbone interact. energy: -0.074
local terms energy: -48.965298
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -7.775
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: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -82.264018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.264018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.264018 (E_RNA)
where:
Base-Base interactions energy: -29.213
where: short stacking energy: -29.213
Base-Backbone interact. energy: -0.106
local terms energy: -52.945971
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -8.339
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -3.675
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -229.175244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.175244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.175244 (E_RNA)
where:
Base-Base interactions energy: -151.447
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.289
local terms energy: -77.439251
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -235.949260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.949260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.949260 (E_RNA)
where:
Base-Base interactions energy: -152.479
where: short stacking energy: -74.262
Base-Backbone interact. energy: 0.410
local terms energy: -83.880827
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -229.445785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.445785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.445785 (E_RNA)
where:
Base-Base interactions energy: -158.058
where: short stacking energy: -76.222
Base-Backbone interact. energy: -0.056
local terms energy: -71.331914
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -22.251
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: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -228.136832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.136832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.136832 (E_RNA)
where:
Base-Base interactions energy: -151.568
where: short stacking energy: -65.482
Base-Backbone interact. energy: 0.421
local terms energy: -76.989743
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -221.239303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.239303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.239303 (E_RNA)
where:
Base-Base interactions energy: -147.948
where: short stacking energy: -66.371
Base-Backbone interact. energy: -0.570
local terms energy: -72.721653
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -208.840025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.840025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.840025 (E_RNA)
where:
Base-Base interactions energy: -131.718
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.905
local terms energy: -76.216743
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -16.894
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: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -167.350245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.350245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.350245 (E_RNA)
where:
Base-Base interactions energy: -109.022
where: short stacking energy: -48.169
Base-Backbone interact. energy: 0.229
local terms energy: -58.557211
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -85.521685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.521685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.521685 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.280
local terms energy: -48.341201
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -7.525
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -97.809958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.809958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.809958 (E_RNA)
where:
Base-Base interactions energy: -53.882
where: short stacking energy: -29.496
Base-Backbone interact. energy: -0.003
local terms energy: -43.925036
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -3.782
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: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -95.486980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.486980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.486980 (E_RNA)
where:
Base-Base interactions energy: -47.551
where: short stacking energy: -21.810
Base-Backbone interact. energy: -0.135
local terms energy: -47.800430
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -6.902
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)