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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/pbt-A1-13c95582/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/pbt-A1-13c95582/inputs/seq.fa: 1
curr_seq: _CAGCUGCCCACUCCCCCUGCCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGCCCACUCCCCCUGCCU
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -82.377294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.377294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.377294 (E_RNA)
where:
Base-Base interactions energy: -0.502
where: short stacking energy: -0.502
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -138.094914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.094914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.094914 (E_RNA)
where:
Base-Base interactions energy: -68.917
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.101
local terms energy: -69.076894
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -219.408084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408084 (E_RNA)
where:
Base-Base interactions energy: -146.909
where: short stacking energy: -77.660
Base-Backbone interact. energy: -0.001
local terms energy: -72.498098
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -12.290
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -125.405007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.405007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.405007 (E_RNA)
where:
Base-Base interactions energy: -52.383
where: short stacking energy: -52.383
Base-Backbone interact. energy: -0.004
local terms energy: -73.018131
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -112.139525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.139525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.139525 (E_RNA)
where:
Base-Base interactions energy: -55.293
where: short stacking energy: -50.332
Base-Backbone interact. energy: -0.101
local terms energy: -56.744993
where:
bonds (distance) C4'-P energy: -7.323
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -119.490963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.490963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.490963 (E_RNA)
where:
Base-Base interactions energy: -63.167
where: short stacking energy: -40.916
Base-Backbone interact. energy: -0.236
local terms energy: -56.087569
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -133.076971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.076971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.076971 (E_RNA)
where:
Base-Base interactions energy: -65.695
where: short stacking energy: -37.917
Base-Backbone interact. energy: -0.197
local terms energy: -67.184817
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -107.825272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.825272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.825272 (E_RNA)
where:
Base-Base interactions energy: -52.635
where: short stacking energy: -40.861
Base-Backbone interact. energy: -0.490
local terms energy: -54.700938
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -8.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -101.427451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.427451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.427451 (E_RNA)
where:
Base-Base interactions energy: -48.127
where: short stacking energy: -42.175
Base-Backbone interact. energy: -0.031
local terms energy: -53.269936
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -94.011913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.011913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.011913 (E_RNA)
where:
Base-Base interactions energy: -35.381
where: short stacking energy: -35.381
Base-Backbone interact. energy: -0.176
local terms energy: -58.454800
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -86.024407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.024407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.024407 (E_RNA)
where:
Base-Base interactions energy: -32.946
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.181
local terms energy: -52.897803
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -165.699089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.699089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.699089 (E_RNA)
where:
Base-Base interactions energy: -84.439
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.053
local terms energy: -81.207243
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -211.387028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.387028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.387028 (E_RNA)
where:
Base-Base interactions energy: -133.429
where: short stacking energy: -72.860
Base-Backbone interact. energy: 0.509
local terms energy: -78.467019
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -133.532232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.532232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.532232 (E_RNA)
where:
Base-Base interactions energy: -58.235
where: short stacking energy: -50.473
Base-Backbone interact. energy: -0.130
local terms energy: -75.167353
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -121.425145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.425145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.425145 (E_RNA)
where:
Base-Base interactions energy: -53.430
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.124
local terms energy: -67.871829
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -10.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -113.501913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.501913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.501913 (E_RNA)
where:
Base-Base interactions energy: -51.041
where: short stacking energy: -49.031
Base-Backbone interact. energy: 1.903
local terms energy: -64.364236
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -10.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -161.439310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.439310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.439310 (E_RNA)
where:
Base-Base interactions energy: -92.980
where: short stacking energy: -60.056
Base-Backbone interact. energy: 0.919
local terms energy: -69.377966
where:
bonds (distance) C4'-P energy: -6.803
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -127.610247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.610247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.610247 (E_RNA)
where:
Base-Base interactions energy: -55.119
where: short stacking energy: -40.237
Base-Backbone interact. energy: -0.012
local terms energy: -72.479530
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -86.899522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.899522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.899522 (E_RNA)
where:
Base-Base interactions energy: -30.747
where: short stacking energy: -28.027
Base-Backbone interact. energy: -0.456
local terms energy: -55.696498
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -12.398
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -86.295846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.295846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.295846 (E_RNA)
where:
Base-Base interactions energy: -30.219
where: short stacking energy: -25.524
Base-Backbone interact. energy: -0.431
local terms energy: -55.645592
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -8.666
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -83.677947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.677947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.677947 (E_RNA)
where:
Base-Base interactions energy: -37.446
where: short stacking energy: -34.785
Base-Backbone interact. energy: 0.248
local terms energy: -46.479985
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -212.003537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.003537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.003537 (E_RNA)
where:
Base-Base interactions energy: -134.398
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.023
local terms energy: -77.582917
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -156.107177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.107177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.107177 (E_RNA)
where:
Base-Base interactions energy: -88.199
where: short stacking energy: -65.539
Base-Backbone interact. energy: -0.705
local terms energy: -67.203102
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -172.078745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.078745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.078745 (E_RNA)
where:
Base-Base interactions energy: -98.108
where: short stacking energy: -59.869
Base-Backbone interact. energy: -0.307
local terms energy: -73.664013
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -11.337
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: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -120.149544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.149544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.149544 (E_RNA)
where:
Base-Base interactions energy: -52.779
where: short stacking energy: -52.779
Base-Backbone interact. energy: -0.007
local terms energy: -67.362846
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -170.710166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.710166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.710166 (E_RNA)
where:
Base-Base interactions energy: -107.786
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.191
local terms energy: -62.732787
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -13.890
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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -94.922600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.922600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.922600 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -34.581
Base-Backbone interact. energy: -0.012
local terms energy: -60.328964
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -105.673392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.673392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.673392 (E_RNA)
where:
Base-Base interactions energy: -44.509
where: short stacking energy: -44.509
Base-Backbone interact. energy: -1.559
local terms energy: -59.605316
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -7.195
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -89.861447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.861447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.861447 (E_RNA)
where:
Base-Base interactions energy: -41.562
where: short stacking energy: -28.368
Base-Backbone interact. energy: 4.031
local terms energy: -52.330399
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -78.949919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.949919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.949919 (E_RNA)
where:
Base-Base interactions energy: -27.870
where: short stacking energy: -23.856
Base-Backbone interact. energy: -0.521
local terms energy: -50.558202
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -78.717889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.717889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.717889 (E_RNA)
where:
Base-Base interactions energy: -26.809
where: short stacking energy: -26.809
Base-Backbone interact. energy: -0.288
local terms energy: -51.621277
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: 0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -210.498557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.498557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.498557 (E_RNA)
where:
Base-Base interactions energy: -133.656
where: short stacking energy: -69.856
Base-Backbone interact. energy: -0.010
local terms energy: -76.832695
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -200.408921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.408921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.408921 (E_RNA)
where:
Base-Base interactions energy: -131.294
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.533
local terms energy: -68.582785
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -150.041887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.041887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.041887 (E_RNA)
where:
Base-Base interactions energy: -76.232
where: short stacking energy: -54.577
Base-Backbone interact. energy: -0.085
local terms energy: -73.724720
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -171.916149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.916149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.916149 (E_RNA)
where:
Base-Base interactions energy: -97.921
where: short stacking energy: -63.722
Base-Backbone interact. energy: -0.148
local terms energy: -73.846632
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -15.591
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: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -119.511200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.511200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.511200 (E_RNA)
where:
Base-Base interactions energy: -62.634
where: short stacking energy: -46.975
Base-Backbone interact. energy: -0.047
local terms energy: -56.830305
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -99.077448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.077448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.077448 (E_RNA)
where:
Base-Base interactions energy: -35.372
where: short stacking energy: -31.934
Base-Backbone interact. energy: -0.030
local terms energy: -63.674873
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -6.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -103.391535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.391535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.391535 (E_RNA)
where:
Base-Base interactions energy: -49.179
where: short stacking energy: -47.136
Base-Backbone interact. energy: -0.221
local terms energy: -53.991129
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -97.247634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.247634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.247634 (E_RNA)
where:
Base-Base interactions energy: -41.435
where: short stacking energy: -26.257
Base-Backbone interact. energy: -0.161
local terms energy: -55.651785
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -5.676
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: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -107.260425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.260425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.260425 (E_RNA)
where:
Base-Base interactions energy: -53.384
where: short stacking energy: -37.578
Base-Backbone interact. energy: -0.183
local terms energy: -53.693620
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -91.540219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.540219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.540219 (E_RNA)
where:
Base-Base interactions energy: -33.889
where: short stacking energy: -27.141
Base-Backbone interact. energy: -0.185
local terms energy: -57.466501
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -193.756306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.756306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.756306 (E_RNA)
where:
Base-Base interactions energy: -114.669
where: short stacking energy: -51.064
Base-Backbone interact. energy: -0.127
local terms energy: -78.960268
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -203.379512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.379512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.379512 (E_RNA)
where:
Base-Base interactions energy: -129.321
where: short stacking energy: -69.038
Base-Backbone interact. energy: -0.633
local terms energy: -73.425038
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -206.346101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.346101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.346101 (E_RNA)
where:
Base-Base interactions energy: -132.664
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.067
local terms energy: -73.615701
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -14.319
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -126.589594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.589594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.589594 (E_RNA)
where:
Base-Base interactions energy: -64.873
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.022
local terms energy: -61.695205
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -197.423274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.423274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.423274 (E_RNA)
where:
Base-Base interactions energy: -121.030
where: short stacking energy: -63.329
Base-Backbone interact. energy: -0.037
local terms energy: -76.356146
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -19.910
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: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -120.018036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.018036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.018036 (E_RNA)
where:
Base-Base interactions energy: -67.228
where: short stacking energy: -35.270
Base-Backbone interact. energy: -0.106
local terms energy: -52.684403
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -94.958652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.958652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.958652 (E_RNA)
where:
Base-Base interactions energy: -36.370
where: short stacking energy: -34.791
Base-Backbone interact. energy: -0.155
local terms energy: -58.434173
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -88.834473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834473 (E_RNA)
where:
Base-Base interactions energy: -34.847
where: short stacking energy: -35.347
Base-Backbone interact. energy: -1.070
local terms energy: -52.916932
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -9.380
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: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -92.322093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.322093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.322093 (E_RNA)
where:
Base-Base interactions energy: -51.146
where: short stacking energy: -35.891
Base-Backbone interact. energy: 5.777
local terms energy: -46.953902
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -78.596966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.596966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.596966 (E_RNA)
where:
Base-Base interactions energy: -28.233
where: short stacking energy: -28.185
Base-Backbone interact. energy: -0.328
local terms energy: -50.036113
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -196.837443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.837443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.837443 (E_RNA)
where:
Base-Base interactions energy: -118.785
where: short stacking energy: -56.519
Base-Backbone interact. energy: 0.758
local terms energy: -78.809606
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -18.589
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -207.525779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.525779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.525779 (E_RNA)
where:
Base-Base interactions energy: -131.364
where: short stacking energy: -72.266
Base-Backbone interact. energy: 0.598
local terms energy: -76.759855
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -207.297359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.297359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.297359 (E_RNA)
where:
Base-Base interactions energy: -130.248
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.000
local terms energy: -77.049145
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -12.784
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: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -214.811993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.811993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.811993 (E_RNA)
where:
Base-Base interactions energy: -138.237
where: short stacking energy: -70.652
Base-Backbone interact. energy: -0.161
local terms energy: -76.414806
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -11.172
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: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -107.689456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.689456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.689456 (E_RNA)
where:
Base-Base interactions energy: -46.678
where: short stacking energy: -29.884
Base-Backbone interact. energy: -0.179
local terms energy: -60.832837
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -136.753433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.753433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.753433 (E_RNA)
where:
Base-Base interactions energy: -73.122
where: short stacking energy: -50.911
Base-Backbone interact. energy: -0.322
local terms energy: -63.309310
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -134.894353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.894353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.894353 (E_RNA)
where:
Base-Base interactions energy: -77.906
where: short stacking energy: -35.546
Base-Backbone interact. energy: -0.249
local terms energy: -56.739254
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -3.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -88.321904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.321904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.321904 (E_RNA)
where:
Base-Base interactions energy: -25.942
where: short stacking energy: -25.942
Base-Backbone interact. energy: 0.275
local terms energy: -62.655048
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -5.600
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -87.121026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.121026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.121026 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -25.982
Base-Backbone interact. energy: -0.133
local terms energy: -55.492435
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -3.295
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: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -90.991412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.991412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.991412 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.025
local terms energy: -54.662499
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -216.513779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.513779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.513779 (E_RNA)
where:
Base-Base interactions energy: -141.452
where: short stacking energy: -74.306
Base-Backbone interact. energy: -0.010
local terms energy: -75.051751
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -12.968
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: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -187.546824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.546824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.546824 (E_RNA)
where:
Base-Base interactions energy: -118.511
where: short stacking energy: -56.211
Base-Backbone interact. energy: 0.967
local terms energy: -70.003035
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -226.123280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.123280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.123280 (E_RNA)
where:
Base-Base interactions energy: -144.821
where: short stacking energy: -84.274
Base-Backbone interact. energy: -0.006
local terms energy: -81.295660
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -195.357739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.357739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.357739 (E_RNA)
where:
Base-Base interactions energy: -123.920
where: short stacking energy: -62.128
Base-Backbone interact. energy: -0.090
local terms energy: -71.347850
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -105.500483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.500483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.500483 (E_RNA)
where:
Base-Base interactions energy: -39.306
where: short stacking energy: -35.547
Base-Backbone interact. energy: -0.487
local terms energy: -65.707879
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -7.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -131.697572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.697572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.697572 (E_RNA)
where:
Base-Base interactions energy: -68.466
where: short stacking energy: -48.774
Base-Backbone interact. energy: -0.326
local terms energy: -62.905121
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -5.515
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: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -108.050088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.050088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.050088 (E_RNA)
where:
Base-Base interactions energy: -54.736
where: short stacking energy: -41.819
Base-Backbone interact. energy: -0.088
local terms energy: -53.226699
where:
bonds (distance) C4'-P energy: -8.370
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -8.673
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: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -131.359279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.359279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.359279 (E_RNA)
where:
Base-Base interactions energy: -68.395
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.177
local terms energy: -62.787311
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -91.126276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.126276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.126276 (E_RNA)
where:
Base-Base interactions energy: -36.728
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.002
local terms energy: -54.396181
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -70.685747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.685747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.685747 (E_RNA)
where:
Base-Base interactions energy: -25.672
where: short stacking energy: -25.672
Base-Backbone interact. energy: 0.281
local terms energy: -45.294211
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -229.524896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.524896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.524896 (E_RNA)
where:
Base-Base interactions energy: -148.296
where: short stacking energy: -79.029
Base-Backbone interact. energy: -0.045
local terms energy: -81.183875
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -210.880091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.880091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.880091 (E_RNA)
where:
Base-Base interactions energy: -132.677
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.203
local terms energy: -77.999893
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -180.279986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.279986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.279986 (E_RNA)
where:
Base-Base interactions energy: -105.531
where: short stacking energy: -58.116
Base-Backbone interact. energy: -0.228
local terms energy: -74.520582
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -197.172367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.172367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.172367 (E_RNA)
where:
Base-Base interactions energy: -133.568
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.410
local terms energy: -63.194711
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -6.144
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: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -113.823720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.823720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.823720 (E_RNA)
where:
Base-Base interactions energy: -51.300
where: short stacking energy: -51.300
Base-Backbone interact. energy: -0.215
local terms energy: -62.308553
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -114.505799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.505799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.505799 (E_RNA)
where:
Base-Base interactions energy: -47.306
where: short stacking energy: -46.653
Base-Backbone interact. energy: -0.156
local terms energy: -67.043326
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -13.239
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: 9
Temperature: 1.200000
Total energy: -98.740931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.740931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.740931 (E_RNA)
where:
Base-Base interactions energy: -34.617
where: short stacking energy: -34.617
Base-Backbone interact. energy: -0.214
local terms energy: -63.909821
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.132
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: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -108.389762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.389762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.389762 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -39.919
Base-Backbone interact. energy: -0.025
local terms energy: -67.715725
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -84.210207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.210207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.210207 (E_RNA)
where:
Base-Base interactions energy: -36.961
where: short stacking energy: -36.961
Base-Backbone interact. energy: -0.497
local terms energy: -46.752095
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -0.182
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: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -82.939709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.939709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.939709 (E_RNA)
where:
Base-Base interactions energy: -30.925
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.365
local terms energy: -51.650441
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -231.114044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.114044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.114044 (E_RNA)
where:
Base-Base interactions energy: -149.295
where: short stacking energy: -87.199
Base-Backbone interact. energy: -0.007
local terms energy: -81.812516
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -227.809519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.809519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.809519 (E_RNA)
where:
Base-Base interactions energy: -144.996
where: short stacking energy: -79.340
Base-Backbone interact. energy: -0.017
local terms energy: -82.796248
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -14.527
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: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -211.944574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.944574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.944574 (E_RNA)
where:
Base-Base interactions energy: -135.654
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.000
local terms energy: -76.290800
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -11.058
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: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -165.053318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.053318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.053318 (E_RNA)
where:
Base-Base interactions energy: -94.112
where: short stacking energy: -48.357
Base-Backbone interact. energy: -0.265
local terms energy: -70.676093
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -122.194565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.194565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.194565 (E_RNA)
where:
Base-Base interactions energy: -59.046
where: short stacking energy: -31.209
Base-Backbone interact. energy: -0.753
local terms energy: -62.395080
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -100.587719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.587719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.587719 (E_RNA)
where:
Base-Base interactions energy: -43.118
where: short stacking energy: -39.909
Base-Backbone interact. energy: -0.151
local terms energy: -57.318542
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.573
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: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -125.912977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.912977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.912977 (E_RNA)
where:
Base-Base interactions energy: -67.478
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.010
local terms energy: -58.424858
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -11.022
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: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -97.633601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.633601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.633601 (E_RNA)
where:
Base-Base interactions energy: -48.771
where: short stacking energy: -34.909
Base-Backbone interact. energy: -0.420
local terms energy: -48.442055
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -2.459
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -88.319336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.319336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.319336 (E_RNA)
where:
Base-Base interactions energy: -39.895
where: short stacking energy: -39.895
Base-Backbone interact. energy: -0.149
local terms energy: -48.275590
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -3.943
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: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -78.773730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.773730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.773730 (E_RNA)
where:
Base-Base interactions energy: -26.245
where: short stacking energy: -25.133
Base-Backbone interact. energy: -0.137
local terms energy: -52.391719
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -228.363106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.363106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.363106 (E_RNA)
where:
Base-Base interactions energy: -143.551
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.092
local terms energy: -84.720013
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -24.086
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -225.461717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.461717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.461717 (E_RNA)
where:
Base-Base interactions energy: -144.607
where: short stacking energy: -83.766
Base-Backbone interact. energy: -0.025
local terms energy: -80.828771
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -22.410
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: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -206.438739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.438739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.438739 (E_RNA)
where:
Base-Base interactions energy: -134.659
where: short stacking energy: -68.576
Base-Backbone interact. energy: -0.776
local terms energy: -71.003849
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -157.958064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.958064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.958064 (E_RNA)
where:
Base-Base interactions energy: -100.969
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.043
local terms energy: -56.945983
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -146.748351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.748351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.748351 (E_RNA)
where:
Base-Base interactions energy: -85.049
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.025
local terms energy: -61.674219
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -12.237
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: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -122.854903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.854903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.854903 (E_RNA)
where:
Base-Base interactions energy: -59.900
where: short stacking energy: -42.419
Base-Backbone interact. energy: -0.048
local terms energy: -62.906780
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -8.487
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: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -152.606829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.606829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.606829 (E_RNA)
where:
Base-Base interactions energy: -90.672
where: short stacking energy: -43.307
Base-Backbone interact. energy: -0.062
local terms energy: -61.873014
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -5.112
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: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -91.991714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.991714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.991714 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -35.591
Base-Backbone interact. energy: -0.229
local terms energy: -56.171502
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -89.758814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.758814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.758814 (E_RNA)
where:
Base-Base interactions energy: -37.297
where: short stacking energy: -37.086
Base-Backbone interact. energy: -0.162
local terms energy: -52.299903
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -91.795357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.795357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.795357 (E_RNA)
where:
Base-Base interactions energy: -43.527
where: short stacking energy: -31.833
Base-Backbone interact. energy: 0.869
local terms energy: -49.136883
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -228.914305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.914305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.914305 (E_RNA)
where:
Base-Base interactions energy: -143.886
where: short stacking energy: -79.567
Base-Backbone interact. energy: -0.128
local terms energy: -84.900085
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -227.072169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.072169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.072169 (E_RNA)
where:
Base-Base interactions energy: -147.118
where: short stacking energy: -82.205
Base-Backbone interact. energy: -0.010
local terms energy: -79.944344
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -222.651958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.651958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.651958 (E_RNA)
where:
Base-Base interactions energy: -141.787
where: short stacking energy: -78.484
Base-Backbone interact. energy: -0.197
local terms energy: -80.667980
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -22.888
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: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -145.344596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.344596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.344596 (E_RNA)
where:
Base-Base interactions energy: -81.213
where: short stacking energy: -40.594
Base-Backbone interact. energy: -0.078
local terms energy: -64.053201
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -8.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -123.729228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.729228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.729228 (E_RNA)
where:
Base-Base interactions energy: -54.003
where: short stacking energy: -46.927
Base-Backbone interact. energy: -0.102
local terms energy: -69.624596
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -9.814
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: 12
Temperature: 1.150000
Total energy: -150.259687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.259687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.259687 (E_RNA)
where:
Base-Base interactions energy: -86.678
where: short stacking energy: -43.545
Base-Backbone interact. energy: -0.404
local terms energy: -63.178431
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -8.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -140.597573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.597573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.597573 (E_RNA)
where:
Base-Base interactions energy: -83.295
where: short stacking energy: -41.297
Base-Backbone interact. energy: -0.239
local terms energy: -57.063582
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.339
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: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -94.388541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.388541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.388541 (E_RNA)
where:
Base-Base interactions energy: -43.057
where: short stacking energy: -43.057
Base-Backbone interact. energy: 0.023
local terms energy: -51.353910
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -90.183270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.183270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.183270 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -34.374
Base-Backbone interact. energy: 0.087
local terms energy: -55.896424
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -81.202395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.202395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.202395 (E_RNA)
where:
Base-Base interactions energy: -34.285
where: short stacking energy: -26.004
Base-Backbone interact. energy: -0.210
local terms energy: -46.707470
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -232.246372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.246372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.246372 (E_RNA)
where:
Base-Base interactions energy: -147.600
where: short stacking energy: -85.069
Base-Backbone interact. energy: -0.000
local terms energy: -84.646598
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -24.463
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: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -223.051622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.051622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.051622 (E_RNA)
where:
Base-Base interactions energy: -135.935
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.056
local terms energy: -87.060055
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -219.418316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.418316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.418316 (E_RNA)
where:
Base-Base interactions energy: -135.104
where: short stacking energy: -71.596
Base-Backbone interact. energy: -0.029
local terms energy: -84.284611
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -21.740
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: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -147.480685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.480685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.480685 (E_RNA)
where:
Base-Base interactions energy: -74.490
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.076
local terms energy: -72.914807
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -124.322741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.322741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.322741 (E_RNA)
where:
Base-Base interactions energy: -63.037
where: short stacking energy: -51.441
Base-Backbone interact. energy: -0.016
local terms energy: -61.269453
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -11.708
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: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -155.942101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.942101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.942101 (E_RNA)
where:
Base-Base interactions energy: -93.312
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.511
local terms energy: -62.119113
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -89.386517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.386517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.386517 (E_RNA)
where:
Base-Base interactions energy: -40.984
where: short stacking energy: -38.661
Base-Backbone interact. energy: -0.325
local terms energy: -48.077551
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -8.347
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -100.149343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.149343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.149343 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -28.534
Base-Backbone interact. energy: -0.115
local terms energy: -59.195280
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -77.691230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.691230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.691230 (E_RNA)
where:
Base-Base interactions energy: -30.496
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.061
local terms energy: -47.134862
where:
bonds (distance) C4'-P energy: -7.499
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -5.883
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: 10, replica: 4
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -84.422914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.422914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.422914 (E_RNA)
where:
Base-Base interactions energy: -26.972
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.121
local terms energy: -57.330039
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -223.334529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.334529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.334529 (E_RNA)
where:
Base-Base interactions energy: -135.488
where: short stacking energy: -74.076
Base-Backbone interact. energy: -0.047
local terms energy: -87.799471
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -219.653519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.653519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.653519 (E_RNA)
where:
Base-Base interactions energy: -140.259
where: short stacking energy: -78.085
Base-Backbone interact. energy: 0.129
local terms energy: -79.524084
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -23.086
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: 14
Temperature: 1.000000
Total energy: -215.197422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.197422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.197422 (E_RNA)
where:
Base-Base interactions energy: -132.721
where: short stacking energy: -69.952
Base-Backbone interact. energy: -0.088
local terms energy: -82.387598
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -23.720
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: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -127.183187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.183187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.183187 (E_RNA)
where:
Base-Base interactions energy: -64.810
where: short stacking energy: -44.780
Base-Backbone interact. energy: 0.309
local terms energy: -62.681809
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -158.191787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.191787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.191787 (E_RNA)
where:
Base-Base interactions energy: -86.683
where: short stacking energy: -46.648
Base-Backbone interact. energy: -0.089
local terms energy: -71.419969
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -113.595439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.595439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.595439 (E_RNA)
where:
Base-Base interactions energy: -51.665
where: short stacking energy: -35.928
Base-Backbone interact. energy: 1.329
local terms energy: -63.259138
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -8.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -95.563672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.563672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.563672 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -37.554
Base-Backbone interact. energy: -0.032
local terms energy: -57.977745
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -6.337
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: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -85.464972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.464972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.464972 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -16.051
Base-Backbone interact. energy: -0.366
local terms energy: -45.775440
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -7.198
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -2.369
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: 4
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -87.709051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.709051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.709051 (E_RNA)
where:
Base-Base interactions energy: -30.495
where: short stacking energy: -30.495
Base-Backbone interact. energy: -0.166
local terms energy: -57.047976
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -81.180079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.180079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.180079 (E_RNA)
where:
Base-Base interactions energy: -35.974
where: short stacking energy: -26.187
Base-Backbone interact. energy: 1.801
local terms energy: -47.007376
where:
bonds (distance) C4'-P energy: -6.493
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -231.916741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.916741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.916741 (E_RNA)
where:
Base-Base interactions energy: -148.668
where: short stacking energy: -80.970
Base-Backbone interact. energy: -0.069
local terms energy: -83.179716
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -13.349
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: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -230.271104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.271104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.271104 (E_RNA)
where:
Base-Base interactions energy: -148.590
where: short stacking energy: -82.781
Base-Backbone interact. energy: -0.037
local terms energy: -81.643385
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -23.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -201.049137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049137 (E_RNA)
where:
Base-Base interactions energy: -125.750
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.089
local terms energy: -75.210214
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -126.392321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.392321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.392321 (E_RNA)
where:
Base-Base interactions energy: -57.037
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.102
local terms energy: -69.253456
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -147.373686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.373686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.373686 (E_RNA)
where:
Base-Base interactions energy: -85.560
where: short stacking energy: -50.272
Base-Backbone interact. energy: -0.224
local terms energy: -61.589399
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -103.833726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.833726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.833726 (E_RNA)
where:
Base-Base interactions energy: -37.824
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.326
local terms energy: -65.683303
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -7.507
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: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -95.608388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.608388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.608388 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -35.844
Base-Backbone interact. energy: 0.266
local terms energy: -60.030210
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -85.429594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.429594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.429594 (E_RNA)
where:
Base-Base interactions energy: -31.115
where: short stacking energy: -31.115
Base-Backbone interact. energy: -0.208
local terms energy: -54.106244
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -85.445495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.445495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.445495 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -27.848
Base-Backbone interact. energy: 0.007
local terms energy: -56.399460
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -8.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -109.637311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.637311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.637311 (E_RNA)
where:
Base-Base interactions energy: -51.826
where: short stacking energy: -29.413
Base-Backbone interact. energy: 2.192
local terms energy: -60.003350
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -234.301333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.301333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.301333 (E_RNA)
where:
Base-Base interactions energy: -150.196
where: short stacking energy: -85.356
Base-Backbone interact. energy: -0.004
local terms energy: -84.101647
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -236.125932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.125932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.125932 (E_RNA)
where:
Base-Base interactions energy: -149.338
where: short stacking energy: -83.961
Base-Backbone interact. energy: -0.161
local terms energy: -86.627805
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -14.307
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: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -205.191858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191858 (E_RNA)
where:
Base-Base interactions energy: -133.596
where: short stacking energy: -64.627
Base-Backbone interact. energy: 0.201
local terms energy: -71.796336
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -130.238185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.238185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.238185 (E_RNA)
where:
Base-Base interactions energy: -60.850
where: short stacking energy: -60.850
Base-Backbone interact. energy: -0.100
local terms energy: -69.287694
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -18.522
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: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -97.737137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.737137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.737137 (E_RNA)
where:
Base-Base interactions energy: -40.820
where: short stacking energy: -38.980
Base-Backbone interact. energy: -0.119
local terms energy: -56.797900
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -13.210
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: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -129.937112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.937112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.937112 (E_RNA)
where:
Base-Base interactions energy: -75.730
where: short stacking energy: -44.940
Base-Backbone interact. energy: -0.105
local terms energy: -54.102140
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -12.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -123.765050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.765050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.765050 (E_RNA)
where:
Base-Base interactions energy: -67.155
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.173
local terms energy: -56.436349
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -96.717025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.717025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.717025 (E_RNA)
where:
Base-Base interactions energy: -35.253
where: short stacking energy: -35.253
Base-Backbone interact. energy: -0.135
local terms energy: -61.329327
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -11.248
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -92.888659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.888659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.888659 (E_RNA)
where:
Base-Base interactions energy: -38.693
where: short stacking energy: -38.390
Base-Backbone interact. energy: -0.209
local terms energy: -53.986774
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -79.566330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.566330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.566330 (E_RNA)
where:
Base-Base interactions energy: -29.948
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.308
local terms energy: -49.310636
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -230.801491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.801491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.801491 (E_RNA)
where:
Base-Base interactions energy: -142.979
where: short stacking energy: -80.956
Base-Backbone interact. energy: 0.220
local terms energy: -88.043312
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -23.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -223.747738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.747738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.747738 (E_RNA)
where:
Base-Base interactions energy: -137.852
where: short stacking energy: -76.383
Base-Backbone interact. energy: 0.365
local terms energy: -86.260704
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -25.090
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -206.749884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.749884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.749884 (E_RNA)
where:
Base-Base interactions energy: -131.298
where: short stacking energy: -70.716
Base-Backbone interact. energy: -0.003
local terms energy: -75.448764
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -121.909345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.909345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.909345 (E_RNA)
where:
Base-Base interactions energy: -71.659
where: short stacking energy: -36.550
Base-Backbone interact. energy: -0.594
local terms energy: -49.656010
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -5.263
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: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -115.224106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.224106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.224106 (E_RNA)
where:
Base-Base interactions energy: -51.340
where: short stacking energy: -51.340
Base-Backbone interact. energy: -0.001
local terms energy: -63.882899
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -111.246750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.246750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.246750 (E_RNA)
where:
Base-Base interactions energy: -54.861
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.329
local terms energy: -56.056525
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -8.554
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: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -91.976798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.976798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.976798 (E_RNA)
where:
Base-Base interactions energy: -44.070
where: short stacking energy: -35.207
Base-Backbone interact. energy: 1.984
local terms energy: -49.890248
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -7.770
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -89.117491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.117491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.117491 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.220
local terms energy: -49.139713
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -2.404
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -85.115610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.115610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.115610 (E_RNA)
where:
Base-Base interactions energy: -33.371
where: short stacking energy: -24.586
Base-Backbone interact. energy: 0.964
local terms energy: -52.708127
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -82.457346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.457346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.457346 (E_RNA)
where:
Base-Base interactions energy: -28.287
where: short stacking energy: -24.409
Base-Backbone interact. energy: -0.128
local terms energy: -54.042437
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -12.056
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: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -223.507763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.507763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.507763 (E_RNA)
where:
Base-Base interactions energy: -143.338
where: short stacking energy: -77.834
Base-Backbone interact. energy: -0.023
local terms energy: -80.146797
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -20.737
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: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -208.711624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.711624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.711624 (E_RNA)
where:
Base-Base interactions energy: -134.025
where: short stacking energy: -71.814
Base-Backbone interact. energy: -0.113
local terms energy: -74.574184
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -17.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -189.159550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.159550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.159550 (E_RNA)
where:
Base-Base interactions energy: -113.061
where: short stacking energy: -56.430
Base-Backbone interact. energy: 0.577
local terms energy: -76.675383
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -122.802591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.802591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.802591 (E_RNA)
where:
Base-Base interactions energy: -52.238
where: short stacking energy: -44.986
Base-Backbone interact. energy: 0.491
local terms energy: -71.055697
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -10.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -108.701169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.701169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.701169 (E_RNA)
where:
Base-Base interactions energy: -41.324
where: short stacking energy: -37.036
Base-Backbone interact. energy: -0.005
local terms energy: -67.371745
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -103.490110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.490110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.490110 (E_RNA)
where:
Base-Base interactions energy: -38.991
where: short stacking energy: -33.573
Base-Backbone interact. energy: -0.205
local terms energy: -64.294083
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -11.191
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: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -102.907228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.907228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.907228 (E_RNA)
where:
Base-Base interactions energy: -46.867
where: short stacking energy: -40.541
Base-Backbone interact. energy: -0.330
local terms energy: -55.710744
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -7.727
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -7.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -84.831268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.831268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.831268 (E_RNA)
where:
Base-Base interactions energy: -30.170
where: short stacking energy: -28.640
Base-Backbone interact. energy: -0.157
local terms energy: -54.503823
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -95.865523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.865523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.865523 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.010
local terms energy: -62.611623
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -80.891010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.891010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.891010 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -29.791
Base-Backbone interact. energy: -0.173
local terms energy: -46.551449
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -221.831959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.831959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.831959 (E_RNA)
where:
Base-Base interactions energy: -138.049
where: short stacking energy: -67.131
Base-Backbone interact. energy: -0.028
local terms energy: -83.754699
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -221.800020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.800020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.800020 (E_RNA)
where:
Base-Base interactions energy: -139.516
where: short stacking energy: -73.892
Base-Backbone interact. energy: 0.241
local terms energy: -82.524892
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -200.369276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.369276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.369276 (E_RNA)
where:
Base-Base interactions energy: -123.416
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.039
local terms energy: -76.913826
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -112.623978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.623978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.623978 (E_RNA)
where:
Base-Base interactions energy: -50.266
where: short stacking energy: -48.209
Base-Backbone interact. energy: -0.059
local terms energy: -62.298613
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -123.900502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.900502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.900502 (E_RNA)
where:
Base-Base interactions energy: -49.000
where: short stacking energy: -49.000
Base-Backbone interact. energy: -0.010
local terms energy: -74.890523
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -15.167
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: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -102.215809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.215809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.215809 (E_RNA)
where:
Base-Base interactions energy: -46.969
where: short stacking energy: -27.965
Base-Backbone interact. energy: -0.421
local terms energy: -54.825592
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -106.097402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097402 (E_RNA)
where:
Base-Base interactions energy: -41.343
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.027
local terms energy: -64.727337
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -81.031230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.031230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.031230 (E_RNA)
where:
Base-Base interactions energy: -28.636
where: short stacking energy: -28.836
Base-Backbone interact. energy: -0.206
local terms energy: -52.188870
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -80.640320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.640320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.640320 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -31.379
Base-Backbone interact. energy: 0.482
local terms energy: -47.948113
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -79.805673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.805673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.805673 (E_RNA)
where:
Base-Base interactions energy: -26.152
where: short stacking energy: -21.397
Base-Backbone interact. energy: -0.246
local terms energy: -53.407800
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -224.339651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.339651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.339651 (E_RNA)
where:
Base-Base interactions energy: -139.313
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.088
local terms energy: -84.938646
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -15.926
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -221.926680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.926680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.926680 (E_RNA)
where:
Base-Base interactions energy: -139.607
where: short stacking energy: -76.746
Base-Backbone interact. energy: -0.004
local terms energy: -82.315986
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -14.674
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: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -193.925676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.925676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.925676 (E_RNA)
where:
Base-Base interactions energy: -123.204
where: short stacking energy: -58.449
Base-Backbone interact. energy: 1.334
local terms energy: -72.055683
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -10.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -125.831351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.831351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.831351 (E_RNA)
where:
Base-Base interactions energy: -56.991
where: short stacking energy: -46.348
Base-Backbone interact. energy: -0.140
local terms energy: -68.700299
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -10.430
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: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -119.022489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.022489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.022489 (E_RNA)
where:
Base-Base interactions energy: -47.189
where: short stacking energy: -47.189
Base-Backbone interact. energy: -0.090
local terms energy: -71.743205
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -105.719563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.719563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.719563 (E_RNA)
where:
Base-Base interactions energy: -45.673
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.016
local terms energy: -60.029740
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -146.073402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.073402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.073402 (E_RNA)
where:
Base-Base interactions energy: -91.569
where: short stacking energy: -49.656
Base-Backbone interact. energy: 0.358
local terms energy: -54.861927
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -10.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -88.558345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.558345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.558345 (E_RNA)
where:
Base-Base interactions energy: -38.705
where: short stacking energy: -11.015
Base-Backbone interact. energy: -0.179
local terms energy: -49.674366
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: 0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -90.544351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.544351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.544351 (E_RNA)
where:
Base-Base interactions energy: -39.841
where: short stacking energy: -39.841
Base-Backbone interact. energy: 0.582
local terms energy: -51.285959
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -7.399
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -77.174763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.174763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.174763 (E_RNA)
where:
Base-Base interactions energy: -21.415
where: short stacking energy: -20.857
Base-Backbone interact. energy: -0.345
local terms energy: -55.415290
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -229.974775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.974775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.974775 (E_RNA)
where:
Base-Base interactions energy: -146.013
where: short stacking energy: -80.342
Base-Backbone interact. energy: -0.041
local terms energy: -83.920750
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -220.740864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.740864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.740864 (E_RNA)
where:
Base-Base interactions energy: -136.495
where: short stacking energy: -73.595
Base-Backbone interact. energy: -0.000
local terms energy: -84.245160
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -190.842868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.842868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842868 (E_RNA)
where:
Base-Base interactions energy: -123.013
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.392
local terms energy: -67.437199
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -129.170998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.170998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.170998 (E_RNA)
where:
Base-Base interactions energy: -67.158
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.305
local terms energy: -61.708527
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -119.068717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.068717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.068717 (E_RNA)
where:
Base-Base interactions energy: -52.858
where: short stacking energy: -48.554
Base-Backbone interact. energy: -0.001
local terms energy: -66.209533
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -144.500780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.500780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.500780 (E_RNA)
where:
Base-Base interactions energy: -82.556
where: short stacking energy: -40.190
Base-Backbone interact. energy: -0.099
local terms energy: -61.846219
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -9.436
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: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -122.746091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.746091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.746091 (E_RNA)
where:
Base-Base interactions energy: -56.158
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.031
local terms energy: -66.557451
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -97.078843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.078843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.078843 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -37.945
Base-Backbone interact. energy: 0.537
local terms energy: -59.671510
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -87.208512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.208512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.208512 (E_RNA)
where:
Base-Base interactions energy: -29.609
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.104
local terms energy: -57.495665
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -88.003828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.003828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.003828 (E_RNA)
where:
Base-Base interactions energy: -37.930
where: short stacking energy: -37.766
Base-Backbone interact. energy: -0.079
local terms energy: -49.994757
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -6.892
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -232.567364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.567364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.567364 (E_RNA)
where:
Base-Base interactions energy: -152.221
where: short stacking energy: -85.671
Base-Backbone interact. energy: -0.047
local terms energy: -80.299419
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -23.169
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: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -231.168889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.168889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.168889 (E_RNA)
where:
Base-Base interactions energy: -145.915
where: short stacking energy: -82.687
Base-Backbone interact. energy: -0.010
local terms energy: -85.244411
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -22.877
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: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -202.281292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.281292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281292 (E_RNA)
where:
Base-Base interactions energy: -127.667
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.009
local terms energy: -74.605153
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -12.297
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: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -143.864615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.864615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.864615 (E_RNA)
where:
Base-Base interactions energy: -83.983
where: short stacking energy: -42.759
Base-Backbone interact. energy: -0.374
local terms energy: -59.508384
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -149.825710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.825710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.825710 (E_RNA)
where:
Base-Base interactions energy: -92.156
where: short stacking energy: -38.778
Base-Backbone interact. energy: 0.495
local terms energy: -58.164431
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -4.404
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: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -125.895118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.895118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.895118 (E_RNA)
where:
Base-Base interactions energy: -64.758
where: short stacking energy: -48.132
Base-Backbone interact. energy: -0.131
local terms energy: -61.006004
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -13.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -107.724607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.724607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.724607 (E_RNA)
where:
Base-Base interactions energy: -43.702
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.111
local terms energy: -63.911797
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -7.504
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: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -83.839167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.839167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.839167 (E_RNA)
where:
Base-Base interactions energy: -31.520
where: short stacking energy: -31.520
Base-Backbone interact. energy: -0.083
local terms energy: -52.235420
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -97.575094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.575094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.575094 (E_RNA)
where:
Base-Base interactions energy: -38.251
where: short stacking energy: -29.609
Base-Backbone interact. energy: -0.021
local terms energy: -59.302981
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -85.675530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.675530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.675530 (E_RNA)
where:
Base-Base interactions energy: -29.747
where: short stacking energy: -29.747
Base-Backbone interact. energy: -0.330
local terms energy: -55.598162
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -221.035380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.035380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.035380 (E_RNA)
where:
Base-Base interactions energy: -139.788
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.006
local terms energy: -81.241665
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -225.824555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.824555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.824555 (E_RNA)
where:
Base-Base interactions energy: -148.227
where: short stacking energy: -78.506
Base-Backbone interact. energy: -0.157
local terms energy: -77.440048
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -203.167637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.167637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.167637 (E_RNA)
where:
Base-Base interactions energy: -130.678
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.065
local terms energy: -72.424488
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -162.584728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.584728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.584728 (E_RNA)
where:
Base-Base interactions energy: -93.988
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.144
local terms energy: -68.453183
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -7.057
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: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -142.081718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.081718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.081718 (E_RNA)
where:
Base-Base interactions energy: -76.672
where: short stacking energy: -46.781
Base-Backbone interact. energy: -0.306
local terms energy: -65.103783
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -109.354390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.354390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.354390 (E_RNA)
where:
Base-Base interactions energy: -46.937
where: short stacking energy: -46.937
Base-Backbone interact. energy: -0.149
local terms energy: -62.268189
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -10.361
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: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -105.428371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.428371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.428371 (E_RNA)
where:
Base-Base interactions energy: -44.937
where: short stacking energy: -33.635
Base-Backbone interact. energy: -0.012
local terms energy: -60.478868
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -8.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -97.870472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.870472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.870472 (E_RNA)
where:
Base-Base interactions energy: -45.908
where: short stacking energy: -32.279
Base-Backbone interact. energy: -0.110
local terms energy: -51.851805
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -9.813
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -81.201565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.201565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.201565 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -34.855
Base-Backbone interact. energy: -0.108
local terms energy: -45.334234
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -5.833
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -94.006066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.006066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.006066 (E_RNA)
where:
Base-Base interactions energy: -37.003
where: short stacking energy: -37.003
Base-Backbone interact. energy: 1.321
local terms energy: -58.324284
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -230.091884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.091884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.091884 (E_RNA)
where:
Base-Base interactions energy: -147.064
where: short stacking energy: -82.050
Base-Backbone interact. energy: -0.024
local terms energy: -83.003475
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -23.845
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: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -222.662424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.662424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.662424 (E_RNA)
where:
Base-Base interactions energy: -143.898
where: short stacking energy: -78.137
Base-Backbone interact. energy: -0.043
local terms energy: -78.721588
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -12.803
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: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -203.664323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.664323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.664323 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.411
local terms energy: -74.476593
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -192.944997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.944997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.944997 (E_RNA)
where:
Base-Base interactions energy: -118.562
where: short stacking energy: -64.116
Base-Backbone interact. energy: -0.021
local terms energy: -74.362581
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -171.912828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.912828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.912828 (E_RNA)
where:
Base-Base interactions energy: -94.236
where: short stacking energy: -62.776
Base-Backbone interact. energy: -1.584
local terms energy: -76.092557
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -18.645
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: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -99.152299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.152299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.152299 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -37.322
Base-Backbone interact. energy: -0.253
local terms energy: -61.577685
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -86.940048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.940048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.940048 (E_RNA)
where:
Base-Base interactions energy: -37.527
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.687
local terms energy: -48.726350
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -5.700
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: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -90.316447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.316447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.316447 (E_RNA)
where:
Base-Base interactions energy: -36.282
where: short stacking energy: -33.172
Base-Backbone interact. energy: -0.281
local terms energy: -53.753247
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -5.739
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: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -95.814542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.814542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.814542 (E_RNA)
where:
Base-Base interactions energy: -46.173
where: short stacking energy: -29.682
Base-Backbone interact. energy: 0.175
local terms energy: -49.816820
where:
bonds (distance) C4'-P energy: -3.930
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -83.371692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.371692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.371692 (E_RNA)
where:
Base-Base interactions energy: -28.339
where: short stacking energy: -28.339
Base-Backbone interact. energy: -0.197
local terms energy: -54.835860
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -231.342893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.342893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.342893 (E_RNA)
where:
Base-Base interactions energy: -147.593
where: short stacking energy: -79.046
Base-Backbone interact. energy: -0.005
local terms energy: -83.745006
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -226.174611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.174611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.174611 (E_RNA)
where:
Base-Base interactions energy: -143.763
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.006
local terms energy: -82.405788
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -23.521
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: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -217.272255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.272255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.272255 (E_RNA)
where:
Base-Base interactions energy: -135.292
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.038
local terms energy: -81.942494
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -11.143
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: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -205.264125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.264125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.264125 (E_RNA)
where:
Base-Base interactions energy: -120.507
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.052
local terms energy: -84.705789
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -168.642067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.642067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.642067 (E_RNA)
where:
Base-Base interactions energy: -97.055
where: short stacking energy: -66.121
Base-Backbone interact. energy: 1.904
local terms energy: -73.490828
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -6.777
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: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -96.594265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.594265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.594265 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -37.007
Base-Backbone interact. energy: -0.121
local terms energy: -59.465933
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -91.716033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.716033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.716033 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.045
local terms energy: -53.225401
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -4.253
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: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -93.754655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754655 (E_RNA)
where:
Base-Base interactions energy: -32.720
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.055
local terms energy: -60.980353
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -93.188547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.188547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.188547 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -31.655
Base-Backbone interact. energy: -0.282
local terms energy: -61.251151
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -83.017814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017814 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.274
local terms energy: -51.626990
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -2.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -227.819528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.819528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.819528 (E_RNA)
where:
Base-Base interactions energy: -148.727
where: short stacking energy: -85.614
Base-Backbone interact. energy: -0.001
local terms energy: -79.091436
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -25.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -230.311597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.311597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.311597 (E_RNA)
where:
Base-Base interactions energy: -141.530
where: short stacking energy: -75.846
Base-Backbone interact. energy: -0.004
local terms energy: -88.777776
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -220.338663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.338663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.338663 (E_RNA)
where:
Base-Base interactions energy: -142.521
where: short stacking energy: -75.222
Base-Backbone interact. energy: -0.280
local terms energy: -77.537334
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -23.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -194.873245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.873245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.873245 (E_RNA)
where:
Base-Base interactions energy: -114.188
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.076
local terms energy: -80.608799
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -11.022
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: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -155.249794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.249794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.249794 (E_RNA)
where:
Base-Base interactions energy: -83.328
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.136
local terms energy: -71.786038
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -116.306997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.306997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.306997 (E_RNA)
where:
Base-Base interactions energy: -72.199
where: short stacking energy: -25.513
Base-Backbone interact. energy: -0.318
local terms energy: -43.790256
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -107.716977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.716977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.716977 (E_RNA)
where:
Base-Base interactions energy: -49.703
where: short stacking energy: -45.410
Base-Backbone interact. energy: 0.388
local terms energy: -58.402101
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -10.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -110.652584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.652584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.652584 (E_RNA)
where:
Base-Base interactions energy: -53.363
where: short stacking energy: -41.289
Base-Backbone interact. energy: 0.470
local terms energy: -57.759911
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -100.241262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.241262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.241262 (E_RNA)
where:
Base-Base interactions energy: -48.979
where: short stacking energy: -48.979
Base-Backbone interact. energy: -0.033
local terms energy: -51.228519
where:
bonds (distance) C4'-P energy: -6.324
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -9.403
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: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -82.987875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987875 (E_RNA)
where:
Base-Base interactions energy: -28.431
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.010
local terms energy: -54.547311
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: 1.711
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: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -210.268735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.268735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.268735 (E_RNA)
where:
Base-Base interactions energy: -128.847
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.206
local terms energy: -81.216035
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -17.078
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: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -218.632510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632510 (E_RNA)
where:
Base-Base interactions energy: -136.875
where: short stacking energy: -78.248
Base-Backbone interact. energy: -0.009
local terms energy: -81.749309
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -22.293
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: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -228.458044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.458044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.458044 (E_RNA)
where:
Base-Base interactions energy: -148.027
where: short stacking energy: -82.925
Base-Backbone interact. energy: -0.010
local terms energy: -80.421066
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -23.479
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: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -198.368008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.368008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.368008 (E_RNA)
where:
Base-Base interactions energy: -116.521
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.049
local terms energy: -81.798554
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -12.152
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: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -154.925623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.925623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.925623 (E_RNA)
where:
Base-Base interactions energy: -90.503
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.327
local terms energy: -64.095378
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -106.542598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.542598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.542598 (E_RNA)
where:
Base-Base interactions energy: -59.067
where: short stacking energy: -41.752
Base-Backbone interact. energy: 0.264
local terms energy: -47.738788
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -7.532
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -8.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -95.976994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.976994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.976994 (E_RNA)
where:
Base-Base interactions energy: -37.352
where: short stacking energy: -37.352
Base-Backbone interact. energy: -0.036
local terms energy: -58.588728
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -92.006298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.006298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.006298 (E_RNA)
where:
Base-Base interactions energy: -36.327
where: short stacking energy: -30.172
Base-Backbone interact. energy: -0.061
local terms energy: -55.618023
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -0.423
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: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -83.947569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.947569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.947569 (E_RNA)
where:
Base-Base interactions energy: -22.978
where: short stacking energy: -23.348
Base-Backbone interact. energy: -0.215
local terms energy: -60.754244
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -73.800681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.800681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.800681 (E_RNA)
where:
Base-Base interactions energy: -28.810
where: short stacking energy: -28.810
Base-Backbone interact. energy: -0.242
local terms energy: -44.748685
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -2.559
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -222.161922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.161922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.161922 (E_RNA)
where:
Base-Base interactions energy: -138.172
where: short stacking energy: -75.650
Base-Backbone interact. energy: -0.208
local terms energy: -83.782350
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -19.592
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -20.064
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: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -226.643545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.643545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.643545 (E_RNA)
where:
Base-Base interactions energy: -143.651
where: short stacking energy: -80.211
Base-Backbone interact. energy: -0.001
local terms energy: -82.992286
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -11.380
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: 3, replica: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -202.836922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.836922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.836922 (E_RNA)
where:
Base-Base interactions energy: -123.604
where: short stacking energy: -72.556
Base-Backbone interact. energy: -0.633
local terms energy: -78.600365
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.507
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: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -217.162303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.162303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.162303 (E_RNA)
where:
Base-Base interactions energy: -140.670
where: short stacking energy: -77.293
Base-Backbone interact. energy: 0.455
local terms energy: -76.946884
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -149.855979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.855979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.855979 (E_RNA)
where:
Base-Base interactions energy: -83.037
where: short stacking energy: -53.797
Base-Backbone interact. energy: 1.108
local terms energy: -67.927499
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -105.936465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.936465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.936465 (E_RNA)
where:
Base-Base interactions energy: -47.782
where: short stacking energy: -21.053
Base-Backbone interact. energy: -0.626
local terms energy: -57.528123
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -2.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -109.072196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.072196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.072196 (E_RNA)
where:
Base-Base interactions energy: -47.842
where: short stacking energy: -47.842
Base-Backbone interact. energy: -0.063
local terms energy: -61.167386
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -95.607394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.607394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.607394 (E_RNA)
where:
Base-Base interactions energy: -36.440
where: short stacking energy: -30.659
Base-Backbone interact. energy: -0.078
local terms energy: -59.090136
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -2.164
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: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -83.759468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.759468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.759468 (E_RNA)
where:
Base-Base interactions energy: -26.809
where: short stacking energy: -26.809
Base-Backbone interact. energy: -0.598
local terms energy: -56.352362
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -10.644
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: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -94.047136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.047136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.047136 (E_RNA)
where:
Base-Base interactions energy: -42.995
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.080
local terms energy: -50.971734
where:
bonds (distance) C4'-P energy: -5.258
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -7.672
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: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -217.632838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.632838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.632838 (E_RNA)
where:
Base-Base interactions energy: -138.445
where: short stacking energy: -76.319
Base-Backbone interact. energy: -0.026
local terms energy: -79.162435
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -220.419158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.419158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.419158 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -78.585
Base-Backbone interact. energy: -0.001
local terms energy: -85.676117
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -23.305
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: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -205.210370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.210370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.210370 (E_RNA)
where:
Base-Base interactions energy: -125.122
where: short stacking energy: -74.298
Base-Backbone interact. energy: -0.127
local terms energy: -79.961787
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -214.937182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.937182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.937182 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -70.557
Base-Backbone interact. energy: -0.064
local terms energy: -77.541945
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -144.180535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.180535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.180535 (E_RNA)
where:
Base-Base interactions energy: -78.736
where: short stacking energy: -51.765
Base-Backbone interact. energy: -0.102
local terms energy: -65.342791
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -10.097
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: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -104.522437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.522437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.522437 (E_RNA)
where:
Base-Base interactions energy: -41.096
where: short stacking energy: -41.096
Base-Backbone interact. energy: -0.123
local terms energy: -63.303935
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -9.829
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: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -100.775670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.775670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.775670 (E_RNA)
where:
Base-Base interactions energy: -46.276
where: short stacking energy: -46.276
Base-Backbone interact. energy: -0.001
local terms energy: -54.498874
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -2.149
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -91.886777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.886777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.886777 (E_RNA)
where:
Base-Base interactions energy: -32.339
where: short stacking energy: -32.339
Base-Backbone interact. energy: -0.342
local terms energy: -59.205086
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -93.751228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.751228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.751228 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -19.190
Base-Backbone interact. energy: -0.915
local terms energy: -51.458913
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -13.482
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: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -94.421180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.421180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.421180 (E_RNA)
where:
Base-Base interactions energy: -41.604
where: short stacking energy: -36.503
Base-Backbone interact. energy: -0.101
local terms energy: -52.716712
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -229.865861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.865861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.865861 (E_RNA)
where:
Base-Base interactions energy: -150.866
where: short stacking energy: -84.020
Base-Backbone interact. energy: -0.007
local terms energy: -78.993051
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -21.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -214.969989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.969989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.969989 (E_RNA)
where:
Base-Base interactions energy: -132.949
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.000
local terms energy: -82.020811
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.308
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: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -206.530414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.530414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.530414 (E_RNA)
where:
Base-Base interactions energy: -132.332
where: short stacking energy: -70.374
Base-Backbone interact. energy: -0.061
local terms energy: -74.137402
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -194.872004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.872004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.872004 (E_RNA)
where:
Base-Base interactions energy: -119.947
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.030
local terms energy: -74.894976
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -148.535519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.535519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.535519 (E_RNA)
where:
Base-Base interactions energy: -88.937
where: short stacking energy: -54.374
Base-Backbone interact. energy: 2.401
local terms energy: -61.999763
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -15.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -115.741134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.741134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.741134 (E_RNA)
where:
Base-Base interactions energy: -58.849
where: short stacking energy: -44.626
Base-Backbone interact. energy: -0.128
local terms energy: -56.764734
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -99.892627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.892627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.892627 (E_RNA)
where:
Base-Base interactions energy: -34.496
where: short stacking energy: -34.496
Base-Backbone interact. energy: -0.197
local terms energy: -65.199591
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.156
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: 30
Temperature: 1.250000
Total energy: -92.839111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.839111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.839111 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.110
local terms energy: -54.654854
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -7.270
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -96.349704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349704 (E_RNA)
where:
Base-Base interactions energy: -42.896
where: short stacking energy: -42.896
Base-Backbone interact. energy: 2.596
local terms energy: -56.049385
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -17.281
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -9.623
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: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -75.657598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.657598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.657598 (E_RNA)
where:
Base-Base interactions energy: -22.716
where: short stacking energy: -22.716
Base-Backbone interact. energy: -0.231
local terms energy: -52.710759
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -9.308
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -222.120111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.120111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.120111 (E_RNA)
where:
Base-Base interactions energy: -147.958
where: short stacking energy: -82.550
Base-Backbone interact. energy: -0.048
local terms energy: -74.113301
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -16.711
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -225.192928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.192928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.192928 (E_RNA)
where:
Base-Base interactions energy: -143.984
where: short stacking energy: -76.880
Base-Backbone interact. energy: -0.089
local terms energy: -81.120379
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -20.942
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: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -208.404061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.404061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.404061 (E_RNA)
where:
Base-Base interactions energy: -131.452
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.056
local terms energy: -76.896648
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -191.219179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.219179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.219179 (E_RNA)
where:
Base-Base interactions energy: -113.647
where: short stacking energy: -61.058
Base-Backbone interact. energy: 0.139
local terms energy: -77.711089
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -162.590570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.590570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.590570 (E_RNA)
where:
Base-Base interactions energy: -87.215
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.017
local terms energy: -75.358517
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -12.142
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: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -100.919240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.919240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.919240 (E_RNA)
where:
Base-Base interactions energy: -47.072
where: short stacking energy: -34.751
Base-Backbone interact. energy: -0.196
local terms energy: -53.651509
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -95.659459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.659459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.659459 (E_RNA)
where:
Base-Base interactions energy: -43.489
where: short stacking energy: -43.489
Base-Backbone interact. energy: -0.011
local terms energy: -52.159638
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -7.206
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: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -89.994003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.994003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.994003 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -38.523
Base-Backbone interact. energy: -0.096
local terms energy: -51.374802
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -90.018636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.018636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.018636 (E_RNA)
where:
Base-Base interactions energy: -50.084
where: short stacking energy: -24.687
Base-Backbone interact. energy: -0.054
local terms energy: -39.880483
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -7.229
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -78.966727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.966727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.966727 (E_RNA)
where:
Base-Base interactions energy: -26.824
where: short stacking energy: -26.824
Base-Backbone interact. energy: 0.102
local terms energy: -52.244718
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -221.103152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.103152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.103152 (E_RNA)
where:
Base-Base interactions energy: -137.831
where: short stacking energy: -77.787
Base-Backbone interact. energy: -0.003
local terms energy: -83.269187
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -25.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -229.168669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.168669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.168669 (E_RNA)
where:
Base-Base interactions energy: -144.486
where: short stacking energy: -81.678
Base-Backbone interact. energy: -0.017
local terms energy: -84.665593
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -201.535577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.535577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.535577 (E_RNA)
where:
Base-Base interactions energy: -127.919
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.018
local terms energy: -73.599244
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -203.465924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.465924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.465924 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -67.883
Base-Backbone interact. energy: -0.004
local terms energy: -73.063238
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -115.568842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.568842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.568842 (E_RNA)
where:
Base-Base interactions energy: -54.235
where: short stacking energy: -37.606
Base-Backbone interact. energy: -0.128
local terms energy: -61.205633
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -135.337869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.337869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.337869 (E_RNA)
where:
Base-Base interactions energy: -69.972
where: short stacking energy: -45.292
Base-Backbone interact. energy: -0.148
local terms energy: -65.218139
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -86.992312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.992312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.992312 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -32.956
Base-Backbone interact. energy: 0.207
local terms energy: -54.242717
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -114.480413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.480413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.480413 (E_RNA)
where:
Base-Base interactions energy: -49.260
where: short stacking energy: -49.260
Base-Backbone interact. energy: -0.126
local terms energy: -65.094284
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -108.432907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.432907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.432907 (E_RNA)
where:
Base-Base interactions energy: -46.953
where: short stacking energy: -39.947
Base-Backbone interact. energy: -0.038
local terms energy: -61.442142
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -13.044
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: 32
Temperature: 1.350000
Total energy: -87.037982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037982 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.033
local terms energy: -53.771511
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -225.888033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.888033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.888033 (E_RNA)
where:
Base-Base interactions energy: -140.606
where: short stacking energy: -79.344
Base-Backbone interact. energy: -0.014
local terms energy: -85.268687
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -24.650
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: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -220.117507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.117507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.117507 (E_RNA)
where:
Base-Base interactions energy: -139.353
where: short stacking energy: -75.378
Base-Backbone interact. energy: -0.002
local terms energy: -80.762760
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -22.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -197.364593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.364593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.364593 (E_RNA)
where:
Base-Base interactions energy: -113.900
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.043
local terms energy: -83.420750
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -12.190
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: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -214.057683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.057683 (E_RNA)
where:
Base-Base interactions energy: -131.404
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.012
local terms energy: -82.641728
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -9.658
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: 5, replica: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -113.261292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.261292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.261292 (E_RNA)
where:
Base-Base interactions energy: -39.445
where: short stacking energy: -37.785
Base-Backbone interact. energy: -0.203
local terms energy: -73.612930
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -108.695896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.695896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.695896 (E_RNA)
where:
Base-Base interactions energy: -47.694
where: short stacking energy: -47.694
Base-Backbone interact. energy: 0.018
local terms energy: -61.019290
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -103.142146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.142146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.142146 (E_RNA)
where:
Base-Base interactions energy: -48.245
where: short stacking energy: -41.070
Base-Backbone interact. energy: -0.167
local terms energy: -54.729651
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -6.933
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: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -110.263538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.263538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.263538 (E_RNA)
where:
Base-Base interactions energy: -51.430
where: short stacking energy: -45.794
Base-Backbone interact. energy: 1.351
local terms energy: -60.185249
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -93.479364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.479364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.479364 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -27.092
Base-Backbone interact. energy: -0.022
local terms energy: -61.702256
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -90.290227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.290227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.290227 (E_RNA)
where:
Base-Base interactions energy: -41.754
where: short stacking energy: -30.729
Base-Backbone interact. energy: -0.124
local terms energy: -48.411784
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -2.681
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: 1, replica: 2
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -223.549526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.549526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.549526 (E_RNA)
where:
Base-Base interactions energy: -142.770
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.077
local terms energy: -80.702700
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -228.652067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.652067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.652067 (E_RNA)
where:
Base-Base interactions energy: -144.252
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.673
local terms energy: -83.726987
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -19.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -219.554976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.554976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.554976 (E_RNA)
where:
Base-Base interactions energy: -137.460
where: short stacking energy: -75.323
Base-Backbone interact. energy: -0.002
local terms energy: -82.092860
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -25.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -177.868494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.868494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.868494 (E_RNA)
where:
Base-Base interactions energy: -112.713
where: short stacking energy: -65.032
Base-Backbone interact. energy: -0.001
local terms energy: -65.154030
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -108.546280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.546280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.546280 (E_RNA)
where:
Base-Base interactions energy: -47.669
where: short stacking energy: -36.498
Base-Backbone interact. energy: 1.706
local terms energy: -62.583624
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -98.669346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.669346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.669346 (E_RNA)
where:
Base-Base interactions energy: -38.027
where: short stacking energy: -25.676
Base-Backbone interact. energy: -0.263
local terms energy: -60.379243
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -104.876539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.876539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.876539 (E_RNA)
where:
Base-Base interactions energy: -45.085
where: short stacking energy: -35.795
Base-Backbone interact. energy: -0.100
local terms energy: -59.692057
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -92.821172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.821172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.821172 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -31.864
Base-Backbone interact. energy: -0.016
local terms energy: -60.941858
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -2.812
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: 9, replica: 7
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -81.900745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.900745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.900745 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.049
local terms energy: -51.141602
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -7.466
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: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -76.509907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.509907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.509907 (E_RNA)
where:
Base-Base interactions energy: -25.919
where: short stacking energy: -25.919
Base-Backbone interact. energy: -0.184
local terms energy: -50.407229
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -228.376094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.376094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.376094 (E_RNA)
where:
Base-Base interactions energy: -141.233
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.090
local terms energy: -87.053227
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -212.647461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.647461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.647461 (E_RNA)
where:
Base-Base interactions energy: -136.407
where: short stacking energy: -74.368
Base-Backbone interact. energy: -0.007
local terms energy: -76.233607
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -210.644070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.644070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.644070 (E_RNA)
where:
Base-Base interactions energy: -131.230
where: short stacking energy: -66.596
Base-Backbone interact. energy: -0.010
local terms energy: -79.403640
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -169.585198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.585198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.585198 (E_RNA)
where:
Base-Base interactions energy: -98.657
where: short stacking energy: -60.631
Base-Backbone interact. energy: 0.775
local terms energy: -71.702814
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -118.787347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.787347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.787347 (E_RNA)
where:
Base-Base interactions energy: -52.077
where: short stacking energy: -42.300
Base-Backbone interact. energy: -0.224
local terms energy: -66.486512
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -8.019
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: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -98.165561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.165561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.165561 (E_RNA)
where:
Base-Base interactions energy: -48.356
where: short stacking energy: -43.517
Base-Backbone interact. energy: -0.155
local terms energy: -49.655060
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -92.295547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.295547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.295547 (E_RNA)
where:
Base-Base interactions energy: -40.613
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.239
local terms energy: -51.443971
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -9.628
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: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -85.450008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.450008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.450008 (E_RNA)
where:
Base-Base interactions energy: -28.155
where: short stacking energy: -28.894
Base-Backbone interact. energy: 0.046
local terms energy: -57.340814
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -3.418
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -89.500585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.500585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.500585 (E_RNA)
where:
Base-Base interactions energy: -36.155
where: short stacking energy: -28.166
Base-Backbone interact. energy: -0.106
local terms energy: -53.239406
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -77.011316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.011316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.011316 (E_RNA)
where:
Base-Base interactions energy: -26.841
where: short stacking energy: -26.841
Base-Backbone interact. energy: -0.230
local terms energy: -49.940312
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -230.096433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.096433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.096433 (E_RNA)
where:
Base-Base interactions energy: -147.223
where: short stacking energy: -73.557
Base-Backbone interact. energy: 0.892
local terms energy: -83.764884
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -23.728
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: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -223.014505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.014505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.014505 (E_RNA)
where:
Base-Base interactions energy: -135.504
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.188
local terms energy: -87.322241
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.564
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: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -223.845930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.845930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.845930 (E_RNA)
where:
Base-Base interactions energy: -142.642
where: short stacking energy: -82.938
Base-Backbone interact. energy: -0.005
local terms energy: -81.199343
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -24.396
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: 10
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -183.287652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.287652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.287652 (E_RNA)
where:
Base-Base interactions energy: -120.381
where: short stacking energy: -57.331
Base-Backbone interact. energy: -0.115
local terms energy: -62.791561
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -117.227109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.227109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.227109 (E_RNA)
where:
Base-Base interactions energy: -55.530
where: short stacking energy: -55.530
Base-Backbone interact. energy: -0.106
local terms energy: -61.590825
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -5.672
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -111.390897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.390897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.390897 (E_RNA)
where:
Base-Base interactions energy: -45.437
where: short stacking energy: -45.437
Base-Backbone interact. energy: -0.167
local terms energy: -65.786990
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -96.173295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.173295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.173295 (E_RNA)
where:
Base-Base interactions energy: -38.666
where: short stacking energy: -33.965
Base-Backbone interact. energy: -0.173
local terms energy: -57.334497
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -93.546960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.546960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.546960 (E_RNA)
where:
Base-Base interactions energy: -41.736
where: short stacking energy: -35.739
Base-Backbone interact. energy: -1.066
local terms energy: -50.744714
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -7.767
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: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -96.259588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.259588 (E_RNA)
where:
Base-Base interactions energy: -40.893
where: short stacking energy: -40.893
Base-Backbone interact. energy: -0.126
local terms energy: -55.240709
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -11.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -77.119090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.119090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.119090 (E_RNA)
where:
Base-Base interactions energy: -24.993
where: short stacking energy: -24.993
Base-Backbone interact. energy: 0.558
local terms energy: -52.683304
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -7.351
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: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -226.895661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.895661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.895661 (E_RNA)
where:
Base-Base interactions energy: -143.233
where: short stacking energy: -76.466
Base-Backbone interact. energy: -0.255
local terms energy: -83.407612
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -10.949
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: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -224.547683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.547683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547683 (E_RNA)
where:
Base-Base interactions energy: -145.587
where: short stacking energy: -72.323
Base-Backbone interact. energy: -0.008
local terms energy: -78.951824
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -221.534616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.534616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.534616 (E_RNA)
where:
Base-Base interactions energy: -137.652
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.003
local terms energy: -83.879975
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -189.138343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.138343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.138343 (E_RNA)
where:
Base-Base interactions energy: -118.251
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.170
local terms energy: -70.716851
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -15.286
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: 5, replica: 9
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -106.618784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.618784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.618784 (E_RNA)
where:
Base-Base interactions energy: -49.960
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.102
local terms energy: -56.556996
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -111.424262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.424262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.424262 (E_RNA)
where:
Base-Base interactions energy: -54.473
where: short stacking energy: -28.498
Base-Backbone interact. energy: 0.347
local terms energy: -57.299175
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -2.120
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -95.228953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.228953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.228953 (E_RNA)
where:
Base-Base interactions energy: -50.262
where: short stacking energy: -32.237
Base-Backbone interact. energy: -0.098
local terms energy: -44.868785
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -86.210615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.210615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.210615 (E_RNA)
where:
Base-Base interactions energy: -39.579
where: short stacking energy: -36.540
Base-Backbone interact. energy: -0.394
local terms energy: -46.237168
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -88.435357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.435357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.435357 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -37.096
Base-Backbone interact. energy: -0.069
local terms energy: -49.875471
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -75.162534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.162534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.162534 (E_RNA)
where:
Base-Base interactions energy: -27.989
where: short stacking energy: -27.989
Base-Backbone interact. energy: 0.159
local terms energy: -47.332297
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -234.193173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.193173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.193173 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -81.967
Base-Backbone interact. energy: -0.001
local terms energy: -84.823651
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -225.643859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.643859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.643859 (E_RNA)
where:
Base-Base interactions energy: -141.340
where: short stacking energy: -71.844
Base-Backbone interact. energy: -0.002
local terms energy: -84.302478
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -11.599
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: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -221.494789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.494789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.494789 (E_RNA)
where:
Base-Base interactions energy: -145.202
where: short stacking energy: -82.885
Base-Backbone interact. energy: 0.047
local terms energy: -76.339947
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -8.807
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: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -183.032201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.032201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.032201 (E_RNA)
where:
Base-Base interactions energy: -111.016
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.307
local terms energy: -71.709036
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -106.821311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.821311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.821311 (E_RNA)
where:
Base-Base interactions energy: -48.776
where: short stacking energy: -48.776
Base-Backbone interact. energy: -0.055
local terms energy: -57.991245
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -116.544059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.544059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.544059 (E_RNA)
where:
Base-Base interactions energy: -49.926
where: short stacking energy: -49.926
Base-Backbone interact. energy: -0.035
local terms energy: -66.583357
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -102.693628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.693628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.693628 (E_RNA)
where:
Base-Base interactions energy: -42.348
where: short stacking energy: -42.348
Base-Backbone interact. energy: -0.126
local terms energy: -60.219912
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -9.404
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: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -100.906356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.906356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.906356 (E_RNA)
where:
Base-Base interactions energy: -36.643
where: short stacking energy: -36.196
Base-Backbone interact. energy: -0.147
local terms energy: -64.115945
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -83.283965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.283965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.283965 (E_RNA)
where:
Base-Base interactions energy: -25.433
where: short stacking energy: -25.433
Base-Backbone interact. energy: -0.078
local terms energy: -57.772547
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -12.250
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: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -82.274860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.274860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.274860 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -29.228
Base-Backbone interact. energy: 0.427
local terms energy: -50.958759
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -226.744125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.744125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.744125 (E_RNA)
where:
Base-Base interactions energy: -146.761
where: short stacking energy: -77.378
Base-Backbone interact. energy: -0.021
local terms energy: -79.962156
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -22.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -218.884549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.884549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.884549 (E_RNA)
where:
Base-Base interactions energy: -139.586
where: short stacking energy: -69.733
Base-Backbone interact. energy: -0.295
local terms energy: -79.003045
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -21.686
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: 2
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -217.243270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.243270 (E_RNA)
where:
Base-Base interactions energy: -139.771
where: short stacking energy: -74.769
Base-Backbone interact. energy: 0.031
local terms energy: -77.503002
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -24.520
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: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -182.586940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.586940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.586940 (E_RNA)
where:
Base-Base interactions energy: -119.486
where: short stacking energy: -52.998
Base-Backbone interact. energy: -0.134
local terms energy: -62.966913
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -106.669871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.669871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.669871 (E_RNA)
where:
Base-Base interactions energy: -43.808
where: short stacking energy: -43.808
Base-Backbone interact. energy: -0.124
local terms energy: -62.738380
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -112.494392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.494392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.494392 (E_RNA)
where:
Base-Base interactions energy: -47.647
where: short stacking energy: -44.159
Base-Backbone interact. energy: 0.246
local terms energy: -65.093841
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -10.114
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: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -90.961708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.961708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.961708 (E_RNA)
where:
Base-Base interactions energy: -41.798
where: short stacking energy: -36.693
Base-Backbone interact. energy: -0.513
local terms energy: -48.650140
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -9.227
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: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -83.695012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.695012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.695012 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -37.669
Base-Backbone interact. energy: -0.257
local terms energy: -45.768773
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -0.400
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -87.179267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.179267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.179267 (E_RNA)
where:
Base-Base interactions energy: -38.897
where: short stacking energy: -25.817
Base-Backbone interact. energy: -0.231
local terms energy: -48.050875
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -84.333352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.333352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.333352 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -27.952
Base-Backbone interact. energy: 0.943
local terms energy: -57.323839
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -225.880548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.880548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.880548 (E_RNA)
where:
Base-Base interactions energy: -140.323
where: short stacking energy: -80.270
Base-Backbone interact. energy: -0.004
local terms energy: -85.553487
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -217.245716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.245716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.245716 (E_RNA)
where:
Base-Base interactions energy: -140.186
where: short stacking energy: -77.043
Base-Backbone interact. energy: -0.093
local terms energy: -76.966776
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -218.007871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.007871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.007871 (E_RNA)
where:
Base-Base interactions energy: -139.860
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.016
local terms energy: -78.131460
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -12.109
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: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -200.125048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.125048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.125048 (E_RNA)
where:
Base-Base interactions energy: -127.320
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.647
local terms energy: -72.158095
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -114.019991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.019991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.019991 (E_RNA)
where:
Base-Base interactions energy: -46.646
where: short stacking energy: -44.510
Base-Backbone interact. energy: -0.026
local terms energy: -67.348289
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -107.997667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.997667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.997667 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -42.100
Base-Backbone interact. energy: -0.085
local terms energy: -65.812702
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -8.371
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: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -101.161234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.161234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.161234 (E_RNA)
where:
Base-Base interactions energy: -38.929
where: short stacking energy: -38.929
Base-Backbone interact. energy: -0.016
local terms energy: -62.215807
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -88.326078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.326078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.326078 (E_RNA)
where:
Base-Base interactions energy: -31.023
where: short stacking energy: -31.023
Base-Backbone interact. energy: -0.924
local terms energy: -56.378478
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -89.190839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.190839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.190839 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -28.794
Base-Backbone interact. energy: 1.800
local terms energy: -50.183119
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -103.061512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.061512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.061512 (E_RNA)
where:
Base-Base interactions energy: -41.265
where: short stacking energy: -41.265
Base-Backbone interact. energy: 0.654
local terms energy: -62.450781
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -230.635061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.635061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.635061 (E_RNA)
where:
Base-Base interactions energy: -146.466
where: short stacking energy: -88.506
Base-Backbone interact. energy: -0.000
local terms energy: -84.168811
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -13.166
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: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -220.497695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.497695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.497695 (E_RNA)
where:
Base-Base interactions energy: -141.490
where: short stacking energy: -79.155
Base-Backbone interact. energy: -0.112
local terms energy: -78.895796
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -22.052
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: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -205.314578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.314578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.314578 (E_RNA)
where:
Base-Base interactions energy: -128.637
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.016
local terms energy: -76.661821
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -16.479
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: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -193.674904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.674904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.674904 (E_RNA)
where:
Base-Base interactions energy: -119.839
where: short stacking energy: -62.533
Base-Backbone interact. energy: -0.714
local terms energy: -73.122263
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -123.370662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.370662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.370662 (E_RNA)
where:
Base-Base interactions energy: -51.790
where: short stacking energy: -46.066
Base-Backbone interact. energy: -0.084
local terms energy: -71.496256
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -13.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -96.452638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.452638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.452638 (E_RNA)
where:
Base-Base interactions energy: -41.623
where: short stacking energy: -41.623
Base-Backbone interact. energy: -0.164
local terms energy: -54.665794
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -102.086467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.086467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.086467 (E_RNA)
where:
Base-Base interactions energy: -39.729
where: short stacking energy: -38.444
Base-Backbone interact. energy: -0.125
local terms energy: -62.232723
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -86.194614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.194614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.194614 (E_RNA)
where:
Base-Base interactions energy: -30.737
where: short stacking energy: -30.259
Base-Backbone interact. energy: -0.082
local terms energy: -55.375317
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -7.772
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: 9, replica: 8
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -95.291036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.291036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.291036 (E_RNA)
where:
Base-Base interactions energy: -37.207
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.193
local terms energy: -57.890865
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -86.978668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.978668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.978668 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.019
local terms energy: -55.225638
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -9.305
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: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -226.587717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.587717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.587717 (E_RNA)
where:
Base-Base interactions energy: -143.578
where: short stacking energy: -74.051
Base-Backbone interact. energy: -0.004
local terms energy: -83.005696
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -222.320662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.320662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.320662 (E_RNA)
where:
Base-Base interactions energy: -139.813
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.053
local terms energy: -82.454598
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -196.310858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.310858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.310858 (E_RNA)
where:
Base-Base interactions energy: -120.058
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.482
local terms energy: -75.769908
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -13.017
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: 42
Temperature: 1.050000
Total energy: -207.633448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.633448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.633448 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.134
local terms energy: -75.368214
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.596
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: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -107.972731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.972731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.972731 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -25.646
Base-Backbone interact. energy: -1.329
local terms energy: -65.595218
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -10.453
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: 6, replica: 9
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -102.828534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.828534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.828534 (E_RNA)
where:
Base-Base interactions energy: -39.213
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.071
local terms energy: -63.544386
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -7.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -107.573977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.573977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.573977 (E_RNA)
where:
Base-Base interactions energy: -56.023
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.070
local terms energy: -51.480731
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -9.440
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -88.602832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.602832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.602832 (E_RNA)
where:
Base-Base interactions energy: -35.886
where: short stacking energy: -35.886
Base-Backbone interact. energy: -0.193
local terms energy: -52.524272
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -93.376193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.376193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.376193 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -25.833
Base-Backbone interact. energy: 1.403
local terms energy: -55.101460
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -4.311
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: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -100.506561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.506561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.506561 (E_RNA)
where:
Base-Base interactions energy: -41.035
where: short stacking energy: -41.035
Base-Backbone interact. energy: -0.100
local terms energy: -59.371509
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -4.052
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -225.377178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.377178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.377178 (E_RNA)
where:
Base-Base interactions energy: -140.276
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.001
local terms energy: -85.100403
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -24.169
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: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -199.668341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.668341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.668341 (E_RNA)
where:
Base-Base interactions energy: -130.486
where: short stacking energy: -61.115
Base-Backbone interact. energy: -0.449
local terms energy: -68.733338
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -228.503999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.503999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.503999 (E_RNA)
where:
Base-Base interactions energy: -144.972
where: short stacking energy: -80.551
Base-Backbone interact. energy: -0.004
local terms energy: -83.528364
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -24.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -192.361876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.361876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.361876 (E_RNA)
where:
Base-Base interactions energy: -125.575
where: short stacking energy: -61.360
Base-Backbone interact. energy: -0.033
local terms energy: -66.753855
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -121.970617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.970617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.970617 (E_RNA)
where:
Base-Base interactions energy: -49.774
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.008
local terms energy: -72.188283
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -97.507637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.507637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.507637 (E_RNA)
where:
Base-Base interactions energy: -38.121
where: short stacking energy: -35.879
Base-Backbone interact. energy: -0.805
local terms energy: -58.581559
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -8.832
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: 9
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -88.484815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484815 (E_RNA)
where:
Base-Base interactions energy: -37.042
where: short stacking energy: -28.632
Base-Backbone interact. energy: 1.496
local terms energy: -52.938594
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -5.664
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -93.765073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.765073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.765073 (E_RNA)
where:
Base-Base interactions energy: -43.554
where: short stacking energy: -33.614
Base-Backbone interact. energy: -0.177
local terms energy: -50.033709
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -91.894880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.894880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.894880 (E_RNA)
where:
Base-Base interactions energy: -42.525
where: short stacking energy: -31.677
Base-Backbone interact. energy: -0.918
local terms energy: -48.452203
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -2.386
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: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.825712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.825712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.825712 (E_RNA)
where:
Base-Base interactions energy: -32.006
where: short stacking energy: -32.006
Base-Backbone interact. energy: -0.263
local terms energy: -46.557042
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -237.790125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.790125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.790125 (E_RNA)
where:
Base-Base interactions energy: -145.958
where: short stacking energy: -77.398
Base-Backbone interact. energy: -0.144
local terms energy: -91.687993
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -200.092837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.092837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.092837 (E_RNA)
where:
Base-Base interactions energy: -130.059
where: short stacking energy: -63.295
Base-Backbone interact. energy: -0.104
local terms energy: -69.930087
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -14.279
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -220.640524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.640524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.640524 (E_RNA)
where:
Base-Base interactions energy: -143.294
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.000
local terms energy: -77.346455
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -196.188191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.188191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.188191 (E_RNA)
where:
Base-Base interactions energy: -134.053
where: short stacking energy: -73.373
Base-Backbone interact. energy: -0.051
local terms energy: -62.084610
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -107.508893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.508893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.508893 (E_RNA)
where:
Base-Base interactions energy: -44.927
where: short stacking energy: -40.254
Base-Backbone interact. energy: -0.216
local terms energy: -62.365555
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -7.722
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: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -100.239793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.239793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.239793 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.029
local terms energy: -60.157255
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -9.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -101.381570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.381570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.381570 (E_RNA)
where:
Base-Base interactions energy: -52.548
where: short stacking energy: -51.675
Base-Backbone interact. energy: -0.045
local terms energy: -48.788745
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -1.279
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -96.473531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.473531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.473531 (E_RNA)
where:
Base-Base interactions energy: -53.431
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.366
local terms energy: -42.676754
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -8.348
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: 3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -90.402847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.402847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.402847 (E_RNA)
where:
Base-Base interactions energy: -29.075
where: short stacking energy: -29.075
Base-Backbone interact. energy: -0.187
local terms energy: -61.140674
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -9.538
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -7.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.172623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.172623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.172623 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.027
local terms energy: -53.238923
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -6.784
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: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -227.477829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.477829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.477829 (E_RNA)
where:
Base-Base interactions energy: -140.695
where: short stacking energy: -78.187
Base-Backbone interact. energy: -0.001
local terms energy: -86.782790
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -224.108580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.108580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.108580 (E_RNA)
where:
Base-Base interactions energy: -139.348
where: short stacking energy: -80.305
Base-Backbone interact. energy: -0.139
local terms energy: -84.621467
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -12.103
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: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -201.914630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.914630 (E_RNA)
where:
Base-Base interactions energy: -125.393
where: short stacking energy: -51.535
Base-Backbone interact. energy: -0.763
local terms energy: -75.758219
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -13.522
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: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -195.422138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.422138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.422138 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.015
local terms energy: -73.206877
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -119.020784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.020784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.020784 (E_RNA)
where:
Base-Base interactions energy: -58.994
where: short stacking energy: -39.034
Base-Backbone interact. energy: -0.037
local terms energy: -59.990307
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -6.033
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: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -114.611570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.611570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.611570 (E_RNA)
where:
Base-Base interactions energy: -47.426
where: short stacking energy: -47.426
Base-Backbone interact. energy: -0.077
local terms energy: -67.108475
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -104.860000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.860000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.860000 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -42.794
Base-Backbone interact. energy: -0.176
local terms energy: -61.298351
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -16.528
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -105.587834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.587834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.587834 (E_RNA)
where:
Base-Base interactions energy: -51.479
where: short stacking energy: -35.634
Base-Backbone interact. energy: 0.425
local terms energy: -54.533779
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -88.503590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.503590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.503590 (E_RNA)
where:
Base-Base interactions energy: -28.950
where: short stacking energy: -26.666
Base-Backbone interact. energy: -0.204
local terms energy: -59.348851
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -86.043127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.043127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.043127 (E_RNA)
where:
Base-Base interactions energy: -32.944
where: short stacking energy: -32.944
Base-Backbone interact. energy: -0.161
local terms energy: -52.937748
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -216.389844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.389844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.389844 (E_RNA)
where:
Base-Base interactions energy: -134.108
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.002
local terms energy: -82.280102
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -224.734420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.734420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.734420 (E_RNA)
where:
Base-Base interactions energy: -141.030
where: short stacking energy: -76.665
Base-Backbone interact. energy: -0.027
local terms energy: -83.677575
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -23.838
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: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -211.410472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.410472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.410472 (E_RNA)
where:
Base-Base interactions energy: -132.962
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.147
local terms energy: -78.301297
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -184.086452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.086452 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -56.130
Base-Backbone interact. energy: -0.306
local terms energy: -68.670781
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -115.693867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.693867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.693867 (E_RNA)
where:
Base-Base interactions energy: -53.042
where: short stacking energy: -39.254
Base-Backbone interact. energy: -0.113
local terms energy: -62.538860
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.203
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: 6, replica: 4
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -97.736981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.736981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.736981 (E_RNA)
where:
Base-Base interactions energy: -36.376
where: short stacking energy: -35.241
Base-Backbone interact. energy: -0.070
local terms energy: -61.290762
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -94.181069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.181069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.181069 (E_RNA)
where:
Base-Base interactions energy: -37.881
where: short stacking energy: -37.881
Base-Backbone interact. energy: -0.422
local terms energy: -55.877314
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.825
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: 7
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -105.491740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.491740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.491740 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -41.580
Base-Backbone interact. energy: -0.080
local terms energy: -63.831244
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -11.108
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: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -102.178961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.178961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.178961 (E_RNA)
where:
Base-Base interactions energy: -48.616
where: short stacking energy: -34.715
Base-Backbone interact. energy: -0.152
local terms energy: -53.410826
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -7.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -86.152497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.152497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.152497 (E_RNA)
where:
Base-Base interactions energy: -32.817
where: short stacking energy: -27.460
Base-Backbone interact. energy: -0.120
local terms energy: -53.215779
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -224.429975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.429975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.429975 (E_RNA)
where:
Base-Base interactions energy: -144.586
where: short stacking energy: -76.690
Base-Backbone interact. energy: -0.003
local terms energy: -79.841804
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -7.575
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: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -227.143040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.143040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.143040 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -79.582
Base-Backbone interact. energy: -0.046
local terms energy: -80.729284
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -21.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -205.735334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.735334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.735334 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -67.556
Base-Backbone interact. energy: -0.101
local terms energy: -79.437000
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -13.359
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: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -170.961589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.961589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.961589 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -50.305
Base-Backbone interact. energy: -0.361
local terms energy: -58.376258
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -7.129
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: 47
Temperature: 1.100000
Total energy: -113.173626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.173626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.173626 (E_RNA)
where:
Base-Base interactions energy: -47.091
where: short stacking energy: -47.091
Base-Backbone interact. energy: -0.225
local terms energy: -65.857296
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -11.273
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: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -107.187913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.187913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.187913 (E_RNA)
where:
Base-Base interactions energy: -44.597
where: short stacking energy: -44.597
Base-Backbone interact. energy: -0.100
local terms energy: -62.490640
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -96.157771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.157771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.157771 (E_RNA)
where:
Base-Base interactions energy: -38.884
where: short stacking energy: -38.730
Base-Backbone interact. energy: 2.295
local terms energy: -59.569149
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -5.971
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: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -89.409348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.409348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.409348 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.151
local terms energy: -55.818591
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -85.907752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.907752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.907752 (E_RNA)
where:
Base-Base interactions energy: -42.925
where: short stacking energy: -32.925
Base-Backbone interact. energy: -0.122
local terms energy: -42.859866
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -7.498
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: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -77.585833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.585833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.585833 (E_RNA)
where:
Base-Base interactions energy: -28.637
where: short stacking energy: -24.562
Base-Backbone interact. energy: -0.284
local terms energy: -48.665477
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: 2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -229.191510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.191510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.191510 (E_RNA)
where:
Base-Base interactions energy: -146.173
where: short stacking energy: -79.735
Base-Backbone interact. energy: -0.016
local terms energy: -83.002598
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -225.801513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.801513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.801513 (E_RNA)
where:
Base-Base interactions energy: -138.449
where: short stacking energy: -74.664
Base-Backbone interact. energy: -0.014
local terms energy: -87.337778
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -21.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -164.840668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.840668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.840668 (E_RNA)
where:
Base-Base interactions energy: -99.275
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.243
local terms energy: -65.322400
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -201.106369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.106369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.106369 (E_RNA)
where:
Base-Base interactions energy: -124.801
where: short stacking energy: -55.457
Base-Backbone interact. energy: -0.018
local terms energy: -76.287073
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -112.348300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.348300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.348300 (E_RNA)
where:
Base-Base interactions energy: -44.032
where: short stacking energy: -44.032
Base-Backbone interact. energy: -0.140
local terms energy: -68.176369
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -112.775530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.775530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.775530 (E_RNA)
where:
Base-Base interactions energy: -47.261
where: short stacking energy: -47.261
Base-Backbone interact. energy: -0.186
local terms energy: -65.327632
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -111.540906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.540906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.540906 (E_RNA)
where:
Base-Base interactions energy: -51.118
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.022
local terms energy: -60.400862
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -12.248
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: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -86.706385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.706385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.706385 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -27.860
Base-Backbone interact. energy: -0.193
local terms energy: -52.031268
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -81.667806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.667806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.667806 (E_RNA)
where:
Base-Base interactions energy: -41.325
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.017
local terms energy: -40.325639
where:
bonds (distance) C4'-P energy: -5.076
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: 1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -74.937267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.937267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.937267 (E_RNA)
where:
Base-Base interactions energy: -29.494
where: short stacking energy: -29.494
Base-Backbone interact. energy: 1.632
local terms energy: -47.075234
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -231.828274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.828274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.828274 (E_RNA)
where:
Base-Base interactions energy: -149.984
where: short stacking energy: -81.715
Base-Backbone interact. energy: 0.163
local terms energy: -82.007739
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -229.281689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.281689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.281689 (E_RNA)
where:
Base-Base interactions energy: -142.763
where: short stacking energy: -77.824
Base-Backbone interact. energy: -0.001
local terms energy: -86.517664
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -183.868701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.868701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.868701 (E_RNA)
where:
Base-Base interactions energy: -114.018
where: short stacking energy: -62.795
Base-Backbone interact. energy: -0.015
local terms energy: -69.835502
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -18.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -202.749655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.749655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.749655 (E_RNA)
where:
Base-Base interactions energy: -126.236
where: short stacking energy: -70.764
Base-Backbone interact. energy: -0.002
local terms energy: -76.512084
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -123.117992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.117992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.117992 (E_RNA)
where:
Base-Base interactions energy: -58.706
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.120
local terms energy: -64.292787
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -106.959155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.959155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.959155 (E_RNA)
where:
Base-Base interactions energy: -45.758
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.202
local terms energy: -60.999359
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -107.004324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.004324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.004324 (E_RNA)
where:
Base-Base interactions energy: -48.432
where: short stacking energy: -48.432
Base-Backbone interact. energy: -0.043
local terms energy: -58.529899
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -10.863
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: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -90.470707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.470707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.470707 (E_RNA)
where:
Base-Base interactions energy: -33.890
where: short stacking energy: -33.890
Base-Backbone interact. energy: -0.342
local terms energy: -56.238557
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -79.848515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.848515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.848515 (E_RNA)
where:
Base-Base interactions energy: -28.248
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.138
local terms energy: -51.462707
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -81.685503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.685503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.685503 (E_RNA)
where:
Base-Base interactions energy: -31.918
where: short stacking energy: -30.068
Base-Backbone interact. energy: 0.037
local terms energy: -49.804768
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: 1.867
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: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -231.180704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.180704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.180704 (E_RNA)
where:
Base-Base interactions energy: -148.652
where: short stacking energy: -85.489
Base-Backbone interact. energy: 0.087
local terms energy: -82.616054
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -226.001271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.001271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.001271 (E_RNA)
where:
Base-Base interactions energy: -149.948
where: short stacking energy: -83.836
Base-Backbone interact. energy: -0.035
local terms energy: -76.018254
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -215.112815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.112815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.112815 (E_RNA)
where:
Base-Base interactions energy: -135.049
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.042
local terms energy: -80.022193
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -22.841
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: 50
Temperature: 1.050000
Total energy: -194.152200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.152200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.152200 (E_RNA)
where:
Base-Base interactions energy: -122.193
where: short stacking energy: -62.845
Base-Backbone interact. energy: -0.176
local terms energy: -71.782464
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -161.529317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.529317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.529317 (E_RNA)
where:
Base-Base interactions energy: -100.039
where: short stacking energy: -56.117
Base-Backbone interact. energy: -0.003
local terms energy: -61.486863
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -118.217810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.217810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.217810 (E_RNA)
where:
Base-Base interactions energy: -56.028
where: short stacking energy: -40.976
Base-Backbone interact. energy: -0.359
local terms energy: -61.830067
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -102.869303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.869303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.869303 (E_RNA)
where:
Base-Base interactions energy: -48.664
where: short stacking energy: -34.849
Base-Backbone interact. energy: 0.673
local terms energy: -54.878410
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -2.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -96.390811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.390811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.390811 (E_RNA)
where:
Base-Base interactions energy: -34.447
where: short stacking energy: -34.447
Base-Backbone interact. energy: -0.136
local terms energy: -61.808100
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -84.676825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.676825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.676825 (E_RNA)
where:
Base-Base interactions energy: -31.831
where: short stacking energy: -31.831
Base-Backbone interact. energy: -0.120
local terms energy: -52.725441
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -3.124
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: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -78.201807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201807 (E_RNA)
where:
Base-Base interactions energy: -20.947
where: short stacking energy: -21.547
Base-Backbone interact. energy: -0.098
local terms energy: -57.156569
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -233.134121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.134121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.134121 (E_RNA)
where:
Base-Base interactions energy: -146.987
where: short stacking energy: -82.971
Base-Backbone interact. energy: -0.000
local terms energy: -86.146938
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -217.809549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.809549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.809549 (E_RNA)
where:
Base-Base interactions energy: -138.584
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.023
local terms energy: -79.201733
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -223.297006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.297006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.297006 (E_RNA)
where:
Base-Base interactions energy: -140.441
where: short stacking energy: -76.771
Base-Backbone interact. energy: 0.392
local terms energy: -83.248611
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -168.411511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.411511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.411511 (E_RNA)
where:
Base-Base interactions energy: -89.968
where: short stacking energy: -59.118
Base-Backbone interact. energy: -0.295
local terms energy: -78.147948
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -185.059079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.059079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.059079 (E_RNA)
where:
Base-Base interactions energy: -119.001
where: short stacking energy: -67.397
Base-Backbone interact. energy: -0.093
local terms energy: -65.964213
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -104.917619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.917619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.917619 (E_RNA)
where:
Base-Base interactions energy: -49.293
where: short stacking energy: -37.427
Base-Backbone interact. energy: 0.798
local terms energy: -56.422704
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -93.902922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.902922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.902922 (E_RNA)
where:
Base-Base interactions energy: -40.768
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.088
local terms energy: -53.047050
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -8.224
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -83.254149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.254149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.254149 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -32.788
Base-Backbone interact. energy: -0.359
local terms energy: -50.607215
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -89.532307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.532307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.532307 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -26.962
Base-Backbone interact. energy: -0.181
local terms energy: -44.433745
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -1.618
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: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -84.781226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.781226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.781226 (E_RNA)
where:
Base-Base interactions energy: -29.975
where: short stacking energy: -22.636
Base-Backbone interact. energy: -0.126
local terms energy: -54.680540
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -4.303
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: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -232.209148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.209148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.209148 (E_RNA)
where:
Base-Base interactions energy: -142.094
where: short stacking energy: -80.858
Base-Backbone interact. energy: -0.003
local terms energy: -90.111705
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -215.812814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.812814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.812814 (E_RNA)
where:
Base-Base interactions energy: -137.853
where: short stacking energy: -74.733
Base-Backbone interact. energy: -0.004
local terms energy: -77.955923
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -22.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -179.051727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.051727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.051727 (E_RNA)
where:
Base-Base interactions energy: -101.250
where: short stacking energy: -72.525
Base-Backbone interact. energy: 0.003
local terms energy: -77.804532
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.617
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: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -213.536324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536324 (E_RNA)
where:
Base-Base interactions energy: -135.474
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.164
local terms energy: -77.898168
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -9.720
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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -168.678438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.678438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.678438 (E_RNA)
where:
Base-Base interactions energy: -108.516
where: short stacking energy: -56.578
Base-Backbone interact. energy: -0.289
local terms energy: -59.873108
where:
bonds (distance) C4'-P energy: -6.859
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -111.513486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.513486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.513486 (E_RNA)
where:
Base-Base interactions energy: -46.976
where: short stacking energy: -46.976
Base-Backbone interact. energy: -0.074
local terms energy: -64.463308
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -96.036131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.036131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.036131 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.290
local terms energy: -61.152275
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -4.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -95.245767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.245767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.245767 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.027
local terms energy: -61.251297
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -87.683389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.683389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.683389 (E_RNA)
where:
Base-Base interactions energy: -38.091
where: short stacking energy: -38.067
Base-Backbone interact. energy: 1.061
local terms energy: -50.653669
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -83.609655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.609655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.609655 (E_RNA)
where:
Base-Base interactions energy: -33.731
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.172
local terms energy: -49.706444
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -2.352
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -233.326508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.326508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.326508 (E_RNA)
where:
Base-Base interactions energy: -151.527
where: short stacking energy: -81.321
Base-Backbone interact. energy: -0.001
local terms energy: -81.798302
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -188.231545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.231545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.231545 (E_RNA)
where:
Base-Base interactions energy: -103.425
where: short stacking energy: -75.396
Base-Backbone interact. energy: -0.017
local terms energy: -84.789674
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -10.965
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: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -203.724109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.724109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.724109 (E_RNA)
where:
Base-Base interactions energy: -127.872
where: short stacking energy: -68.809
Base-Backbone interact. energy: -0.109
local terms energy: -75.742986
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -216.451865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.451865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.451865 (E_RNA)
where:
Base-Base interactions energy: -134.471
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.117
local terms energy: -81.864243
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -23.090
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: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -169.886530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.886530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.886530 (E_RNA)
where:
Base-Base interactions energy: -99.618
where: short stacking energy: -52.332
Base-Backbone interact. energy: -0.107
local terms energy: -70.161080
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -11.764
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: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -107.598831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.598831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.598831 (E_RNA)
where:
Base-Base interactions energy: -41.213
where: short stacking energy: -41.213
Base-Backbone interact. energy: -0.051
local terms energy: -66.334315
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -98.710791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.710791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.710791 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.005
local terms energy: -61.630742
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -8.717
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: 53
Temperature: 1.250000
Total energy: -99.064728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.064728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.064728 (E_RNA)
where:
Base-Base interactions energy: -36.019
where: short stacking energy: -36.019
Base-Backbone interact. energy: -0.215
local terms energy: -62.830876
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -82.258154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.258154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.258154 (E_RNA)
where:
Base-Base interactions energy: -31.636
where: short stacking energy: -30.532
Base-Backbone interact. energy: -0.210
local terms energy: -50.412520
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -75.331316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.331316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.331316 (E_RNA)
where:
Base-Base interactions energy: -29.626
where: short stacking energy: -26.467
Base-Backbone interact. energy: -0.152
local terms energy: -45.553020
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: 1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -234.543395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.543395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.543395 (E_RNA)
where:
Base-Base interactions energy: -147.994
where: short stacking energy: -86.685
Base-Backbone interact. energy: -0.000
local terms energy: -86.549419
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -25.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -185.599319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.599319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.599319 (E_RNA)
where:
Base-Base interactions energy: -105.297
where: short stacking energy: -76.543
Base-Backbone interact. energy: -0.005
local terms energy: -80.297916
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.535
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: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -223.279607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279607 (E_RNA)
where:
Base-Base interactions energy: -142.740
where: short stacking energy: -78.380
Base-Backbone interact. energy: -0.008
local terms energy: -80.531959
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -209.024409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.024409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.024409 (E_RNA)
where:
Base-Base interactions energy: -139.600
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.016
local terms energy: -69.408573
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -8.649
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: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -156.900093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.900093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.900093 (E_RNA)
where:
Base-Base interactions energy: -86.243
where: short stacking energy: -49.855
Base-Backbone interact. energy: -0.042
local terms energy: -70.615522
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -98.170512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.170512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.170512 (E_RNA)
where:
Base-Base interactions energy: -33.973
where: short stacking energy: -33.615
Base-Backbone interact. energy: -0.058
local terms energy: -64.139671
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -119.588374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.588374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.588374 (E_RNA)
where:
Base-Base interactions energy: -69.543
where: short stacking energy: -39.775
Base-Backbone interact. energy: -0.637
local terms energy: -49.408748
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -9.152
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -94.880275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.880275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.880275 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -41.082
Base-Backbone interact. energy: -0.076
local terms energy: -53.655541
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -87.721189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721189 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -29.816
Base-Backbone interact. energy: -0.047
local terms energy: -57.857679
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -77.819590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819590 (E_RNA)
where:
Base-Base interactions energy: -29.181
where: short stacking energy: -26.131
Base-Backbone interact. energy: -0.405
local terms energy: -48.233921
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -5.969
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: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -230.365996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.365996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.365996 (E_RNA)
where:
Base-Base interactions energy: -144.708
where: short stacking energy: -86.186
Base-Backbone interact. energy: -0.037
local terms energy: -85.621263
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -25.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -224.634612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.634612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.634612 (E_RNA)
where:
Base-Base interactions energy: -142.955
where: short stacking energy: -81.423
Base-Backbone interact. energy: -0.061
local terms energy: -81.619237
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -24.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -163.771828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.771828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.771828 (E_RNA)
where:
Base-Base interactions energy: -94.574
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.039
local terms energy: -69.159283
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -197.109183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.109183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.109183 (E_RNA)
where:
Base-Base interactions energy: -115.365
where: short stacking energy: -63.408
Base-Backbone interact. energy: -0.133
local terms energy: -81.611107
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -157.653541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.653541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.653541 (E_RNA)
where:
Base-Base interactions energy: -96.872
where: short stacking energy: -56.593
Base-Backbone interact. energy: -0.148
local terms energy: -60.633025
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -143.862407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.862407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.862407 (E_RNA)
where:
Base-Base interactions energy: -78.205
where: short stacking energy: -58.712
Base-Backbone interact. energy: -0.102
local terms energy: -65.555342
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -103.835030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.835030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.835030 (E_RNA)
where:
Base-Base interactions energy: -54.660
where: short stacking energy: -37.713
Base-Backbone interact. energy: -0.178
local terms energy: -48.996998
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -87.158420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.158420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.158420 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -27.552
Base-Backbone interact. energy: -0.109
local terms energy: -59.498093
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -89.946491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.946491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.946491 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -40.537
Base-Backbone interact. energy: -0.116
local terms energy: -49.293092
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -4.323
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: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -84.349546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.349546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.349546 (E_RNA)
where:
Base-Base interactions energy: -33.832
where: short stacking energy: -30.035
Base-Backbone interact. energy: -0.192
local terms energy: -50.325454
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -230.043471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.043471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.043471 (E_RNA)
where:
Base-Base interactions energy: -149.169
where: short stacking energy: -83.411
Base-Backbone interact. energy: -0.022
local terms energy: -80.852727
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -222.781145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.781145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.781145 (E_RNA)
where:
Base-Base interactions energy: -141.480
where: short stacking energy: -76.527
Base-Backbone interact. energy: -0.068
local terms energy: -81.232776
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -216.687078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.687078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.687078 (E_RNA)
where:
Base-Base interactions energy: -133.401
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.133
local terms energy: -83.152989
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -159.099117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.099117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.099117 (E_RNA)
where:
Base-Base interactions energy: -80.591
where: short stacking energy: -53.058
Base-Backbone interact. energy: -0.115
local terms energy: -78.393408
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -16.725
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: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -178.885580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.885580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.885580 (E_RNA)
where:
Base-Base interactions energy: -108.450
where: short stacking energy: -72.418
Base-Backbone interact. energy: -0.009
local terms energy: -70.426559
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -120.795915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.795915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.795915 (E_RNA)
where:
Base-Base interactions energy: -68.472
where: short stacking energy: -41.717
Base-Backbone interact. energy: -0.068
local terms energy: -52.255985
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -6.468
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: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -109.163100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.163100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.163100 (E_RNA)
where:
Base-Base interactions energy: -42.965
where: short stacking energy: -42.947
Base-Backbone interact. energy: -0.133
local terms energy: -66.065163
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -88.784767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.784767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.784767 (E_RNA)
where:
Base-Base interactions energy: -41.746
where: short stacking energy: -31.250
Base-Backbone interact. energy: -0.167
local terms energy: -46.871568
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -84.641807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.641807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.641807 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -34.261
Base-Backbone interact. energy: -0.365
local terms energy: -48.242142
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -9.312
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -79.478574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.478574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.478574 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -26.435
Base-Backbone interact. energy: -0.203
local terms energy: -50.356048
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -227.878654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.878654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.878654 (E_RNA)
where:
Base-Base interactions energy: -143.018
where: short stacking energy: -81.469
Base-Backbone interact. energy: -0.019
local terms energy: -84.841832
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -25.120
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: 57
Temperature: 0.950000
Total energy: -213.071057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.071057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.071057 (E_RNA)
where:
Base-Base interactions energy: -135.190
where: short stacking energy: -70.243
Base-Backbone interact. energy: -0.085
local terms energy: -77.795688
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -23.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -219.709330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.709330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.709330 (E_RNA)
where:
Base-Base interactions energy: -136.403
where: short stacking energy: -74.923
Base-Backbone interact. energy: -0.006
local terms energy: -83.300056
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -177.181628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.181628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.181628 (E_RNA)
where:
Base-Base interactions energy: -101.282
where: short stacking energy: -63.475
Base-Backbone interact. energy: -0.006
local terms energy: -75.894047
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -158.473613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.473613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.473613 (E_RNA)
where:
Base-Base interactions energy: -86.489
where: short stacking energy: -53.896
Base-Backbone interact. energy: -0.025
local terms energy: -71.960160
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -100.771077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.771077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.771077 (E_RNA)
where:
Base-Base interactions energy: -42.702
where: short stacking energy: -42.702
Base-Backbone interact. energy: -0.061
local terms energy: -58.008089
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -128.865750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.865750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.865750 (E_RNA)
where:
Base-Base interactions energy: -75.870
where: short stacking energy: -32.951
Base-Backbone interact. energy: -0.116
local terms energy: -52.879430
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -9.924
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -91.204361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.204361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.204361 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -32.962
Base-Backbone interact. energy: -0.108
local terms energy: -58.045265
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.206
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: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -84.098803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.098803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.098803 (E_RNA)
where:
Base-Base interactions energy: -33.588
where: short stacking energy: -24.722
Base-Backbone interact. energy: -0.370
local terms energy: -50.140547
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -11.691
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: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -88.024659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024659 (E_RNA)
where:
Base-Base interactions energy: -43.032
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.016
local terms energy: -44.976011
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -7.873
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: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -234.796999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.796999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.796999 (E_RNA)
where:
Base-Base interactions energy: -147.026
where: short stacking energy: -80.565
Base-Backbone interact. energy: -0.005
local terms energy: -87.765227
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -23.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -220.828471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.828471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.828471 (E_RNA)
where:
Base-Base interactions energy: -142.255
where: short stacking energy: -81.499
Base-Backbone interact. energy: -0.001
local terms energy: -78.571859
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -11.941
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: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -222.168155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.168155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.168155 (E_RNA)
where:
Base-Base interactions energy: -141.452
where: short stacking energy: -80.185
Base-Backbone interact. energy: -0.096
local terms energy: -80.619683
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -23.367
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: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -181.579331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.579331 (E_RNA)
where:
Base-Base interactions energy: -113.106
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.885
local terms energy: -67.588430
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -161.819713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.819713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.819713 (E_RNA)
where:
Base-Base interactions energy: -90.994
where: short stacking energy: -59.623
Base-Backbone interact. energy: -0.090
local terms energy: -70.735869
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -104.601108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.601108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.601108 (E_RNA)
where:
Base-Base interactions energy: -41.351
where: short stacking energy: -40.804
Base-Backbone interact. energy: -0.068
local terms energy: -63.182539
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -160.959127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.959127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.959127 (E_RNA)
where:
Base-Base interactions energy: -105.079
where: short stacking energy: -51.271
Base-Backbone interact. energy: 0.695
local terms energy: -56.575224
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -96.098749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.098749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.098749 (E_RNA)
where:
Base-Base interactions energy: -43.613
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.066
local terms energy: -52.420116
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -4.935
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: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -87.630648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.630648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.630648 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -30.697
Base-Backbone interact. energy: -0.105
local terms energy: -56.828474
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -9.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -82.253326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.253326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.253326 (E_RNA)
where:
Base-Base interactions energy: -31.387
where: short stacking energy: -31.387
Base-Backbone interact. energy: -0.635
local terms energy: -50.230876
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -229.998422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.998422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.998422 (E_RNA)
where:
Base-Base interactions energy: -145.361
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.098
local terms energy: -84.539650
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -223.194702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.194702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.194702 (E_RNA)
where:
Base-Base interactions energy: -141.407
where: short stacking energy: -78.825
Base-Backbone interact. energy: -0.079
local terms energy: -81.708359
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -212.273793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.273793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.273793 (E_RNA)
where:
Base-Base interactions energy: -138.102
where: short stacking energy: -74.023
Base-Backbone interact. energy: -0.107
local terms energy: -74.064738
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -18.518
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: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -165.190988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.190988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.190988 (E_RNA)
where:
Base-Base interactions energy: -92.445
where: short stacking energy: -62.949
Base-Backbone interact. energy: -0.015
local terms energy: -72.730417
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -173.441508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.441508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.441508 (E_RNA)
where:
Base-Base interactions energy: -105.773
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.474
local terms energy: -67.193898
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -202.059489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.059489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.059489 (E_RNA)
where:
Base-Base interactions energy: -128.999
where: short stacking energy: -76.321
Base-Backbone interact. energy: -0.013
local terms energy: -73.048049
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -105.221295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.221295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.221295 (E_RNA)
where:
Base-Base interactions energy: -46.388
where: short stacking energy: -46.388
Base-Backbone interact. energy: -0.236
local terms energy: -58.597815
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -11.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -85.929524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.929524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.929524 (E_RNA)
where:
Base-Base interactions energy: -29.608
where: short stacking energy: -29.608
Base-Backbone interact. energy: -0.295
local terms energy: -56.027174
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -89.190004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.190004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.190004 (E_RNA)
where:
Base-Base interactions energy: -32.610
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.332
local terms energy: -56.247937
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -82.128340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.128340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.128340 (E_RNA)
where:
Base-Base interactions energy: -29.180
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.015
local terms energy: -52.933397
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -228.705947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.705947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.705947 (E_RNA)
where:
Base-Base interactions energy: -145.749
where: short stacking energy: -79.920
Base-Backbone interact. energy: -0.017
local terms energy: -82.940210
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -230.122753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.122753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.122753 (E_RNA)
where:
Base-Base interactions energy: -145.772
where: short stacking energy: -78.938
Base-Backbone interact. energy: 0.072
local terms energy: -84.423254
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -216.494046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.494046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.494046 (E_RNA)
where:
Base-Base interactions energy: -139.644
where: short stacking energy: -79.578
Base-Backbone interact. energy: -0.052
local terms energy: -76.797783
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -24.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -141.405476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.405476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.405476 (E_RNA)
where:
Base-Base interactions energy: -82.399
where: short stacking energy: -54.401
Base-Backbone interact. energy: 0.580
local terms energy: -59.586529
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -211.767731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.767731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.767731 (E_RNA)
where:
Base-Base interactions energy: -128.487
where: short stacking energy: -78.214
Base-Backbone interact. energy: -0.119
local terms energy: -83.161726
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -13.078
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: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -155.812959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.812959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.812959 (E_RNA)
where:
Base-Base interactions energy: -85.369
where: short stacking energy: -53.601
Base-Backbone interact. energy: -0.385
local terms energy: -70.058676
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.057
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: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -106.637495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.637495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.637495 (E_RNA)
where:
Base-Base interactions energy: -50.740
where: short stacking energy: -50.740
Base-Backbone interact. energy: -0.024
local terms energy: -55.873692
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -81.594621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.594621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.594621 (E_RNA)
where:
Base-Base interactions energy: -26.813
where: short stacking energy: -24.351
Base-Backbone interact. energy: -0.651
local terms energy: -54.131259
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -81.347104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.347104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.347104 (E_RNA)
where:
Base-Base interactions energy: -21.944
where: short stacking energy: -21.015
Base-Backbone interact. energy: -0.364
local terms energy: -59.039486
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -4.468
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: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -82.158248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.158248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.158248 (E_RNA)
where:
Base-Base interactions energy: -26.266
where: short stacking energy: -25.596
Base-Backbone interact. energy: -0.067
local terms energy: -55.824924
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -239.722050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.722050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.722050 (E_RNA)
where:
Base-Base interactions energy: -154.316
where: short stacking energy: -88.832
Base-Backbone interact. energy: -0.016
local terms energy: -85.390113
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -221.972294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.972294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.972294 (E_RNA)
where:
Base-Base interactions energy: -140.119
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.002
local terms energy: -81.851702
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -214.359154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.359154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.359154 (E_RNA)
where:
Base-Base interactions energy: -135.020
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.005
local terms energy: -79.334479
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -210.725262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.725262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.725262 (E_RNA)
where:
Base-Base interactions energy: -131.797
where: short stacking energy: -70.692
Base-Backbone interact. energy: -0.001
local terms energy: -78.926860
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -118.765028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.765028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.765028 (E_RNA)
where:
Base-Base interactions energy: -53.064
where: short stacking energy: -28.697
Base-Backbone interact. energy: 0.342
local terms energy: -66.043173
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -9.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -141.906529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.906529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.906529 (E_RNA)
where:
Base-Base interactions energy: -73.501
where: short stacking energy: -39.294
Base-Backbone interact. energy: -0.094
local terms energy: -68.311401
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -88.276852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.276852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.276852 (E_RNA)
where:
Base-Base interactions energy: -34.860
where: short stacking energy: -34.860
Base-Backbone interact. energy: -0.238
local terms energy: -53.178205
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: 1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -102.889902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.889902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.889902 (E_RNA)
where:
Base-Base interactions energy: -41.697
where: short stacking energy: -41.697
Base-Backbone interact. energy: -0.014
local terms energy: -61.178599
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -82.990929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.990929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.990929 (E_RNA)
where:
Base-Base interactions energy: -22.677
where: short stacking energy: -22.677
Base-Backbone interact. energy: -0.041
local terms energy: -60.273313
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -98.934062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.934062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.934062 (E_RNA)
where:
Base-Base interactions energy: -36.084
where: short stacking energy: -36.084
Base-Backbone interact. energy: 2.019
local terms energy: -64.869195
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -225.389674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.389674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.389674 (E_RNA)
where:
Base-Base interactions energy: -141.150
where: short stacking energy: -76.235
Base-Backbone interact. energy: -0.109
local terms energy: -84.130707
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -223.875527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.875527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.875527 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -81.202
Base-Backbone interact. energy: -0.021
local terms energy: -81.290506
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -18.714
flat angles P-C4'-P energy: -11.581
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: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -205.423900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.423900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.423900 (E_RNA)
where:
Base-Base interactions energy: -126.188
where: short stacking energy: -62.300
Base-Backbone interact. energy: -0.101
local terms energy: -79.134715
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -10.675
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -217.447215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.447215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.447215 (E_RNA)
where:
Base-Base interactions energy: -131.214
where: short stacking energy: -76.910
Base-Backbone interact. energy: -0.537
local terms energy: -85.696180
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -13.520
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: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -148.143087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.143087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.143087 (E_RNA)
where:
Base-Base interactions energy: -79.466
where: short stacking energy: -39.937
Base-Backbone interact. energy: -0.062
local terms energy: -68.615377
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -9.856
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: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -113.171025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.171025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.171025 (E_RNA)
where:
Base-Base interactions energy: -56.596
where: short stacking energy: -54.164
Base-Backbone interact. energy: 0.054
local terms energy: -56.629467
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -10.978
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: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -115.245447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.245447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.245447 (E_RNA)
where:
Base-Base interactions energy: -47.062
where: short stacking energy: -47.062
Base-Backbone interact. energy: -0.010
local terms energy: -68.173424
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -90.397953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.397953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.397953 (E_RNA)
where:
Base-Base interactions energy: -42.024
where: short stacking energy: -35.164
Base-Backbone interact. energy: -0.087
local terms energy: -48.286881
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -88.325761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.325761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.325761 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.207
local terms energy: -58.341989
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -87.751308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.751308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.751308 (E_RNA)
where:
Base-Base interactions energy: -38.768
where: short stacking energy: -38.768
Base-Backbone interact. energy: 2.067
local terms energy: -51.050833
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -235.393543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.393543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.393543 (E_RNA)
where:
Base-Base interactions energy: -151.232
where: short stacking energy: -83.615
Base-Backbone interact. energy: -0.294
local terms energy: -83.866700
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -214.502776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.502776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.502776 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.147
local terms energy: -78.086211
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -18.500
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: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -223.184491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.184491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.184491 (E_RNA)
where:
Base-Base interactions energy: -143.381
where: short stacking energy: -75.743
Base-Backbone interact. energy: -0.046
local terms energy: -79.757039
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -10.838
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: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -173.736802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.736802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.736802 (E_RNA)
where:
Base-Base interactions energy: -113.515
where: short stacking energy: -54.747
Base-Backbone interact. energy: -0.691
local terms energy: -59.530849
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -198.119329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.119329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.119329 (E_RNA)
where:
Base-Base interactions energy: -121.510
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.119
local terms energy: -76.490376
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -101.901088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.901088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.901088 (E_RNA)
where:
Base-Base interactions energy: -39.288
where: short stacking energy: -39.288
Base-Backbone interact. energy: -0.086
local terms energy: -62.526211
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -8.196
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: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -96.449940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.449940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.449940 (E_RNA)
where:
Base-Base interactions energy: -39.168
where: short stacking energy: -39.168
Base-Backbone interact. energy: -0.228
local terms energy: -57.054791
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -102.458259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.458259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.458259 (E_RNA)
where:
Base-Base interactions energy: -56.552
where: short stacking energy: -45.116
Base-Backbone interact. energy: 0.065
local terms energy: -45.971270
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -3.680
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -84.892253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.892253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.892253 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.225
local terms energy: -54.054844
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -77.848761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.848761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.848761 (E_RNA)
where:
Base-Base interactions energy: -28.656
where: short stacking energy: -28.656
Base-Backbone interact. energy: -0.062
local terms energy: -49.130817
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -9.626
flat angles P-C4'-P energy: -7.232
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: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -233.372395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.372395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.372395 (E_RNA)
where:
Base-Base interactions energy: -146.230
where: short stacking energy: -79.395
Base-Backbone interact. energy: -0.009
local terms energy: -87.133241
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -213.604339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.604339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.604339 (E_RNA)
where:
Base-Base interactions energy: -129.224
where: short stacking energy: -68.974
Base-Backbone interact. energy: -0.117
local terms energy: -84.262887
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -226.100642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.100642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.100642 (E_RNA)
where:
Base-Base interactions energy: -144.431
where: short stacking energy: -81.468
Base-Backbone interact. energy: -0.037
local terms energy: -81.632712
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -11.706
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: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -181.312560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.312560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.312560 (E_RNA)
where:
Base-Base interactions energy: -108.182
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.747
local terms energy: -72.383861
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -13.758
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -197.847469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.847469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.847469 (E_RNA)
where:
Base-Base interactions energy: -128.614
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.555
local terms energy: -68.678886
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.901
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: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -99.356725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.356725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.356725 (E_RNA)
where:
Base-Base interactions energy: -39.088
where: short stacking energy: -37.138
Base-Backbone interact. energy: -0.109
local terms energy: -60.160126
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -3.844
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: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -85.595351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.595351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.595351 (E_RNA)
where:
Base-Base interactions energy: -31.680
where: short stacking energy: -28.087
Base-Backbone interact. energy: 0.728
local terms energy: -54.643426
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -93.635911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.635911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.635911 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.166
local terms energy: -55.559851
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -77.433170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.433170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.433170 (E_RNA)
where:
Base-Base interactions energy: -21.266
where: short stacking energy: -21.266
Base-Backbone interact. energy: -0.425
local terms energy: -55.742720
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -80.544386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.544386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.544386 (E_RNA)
where:
Base-Base interactions energy: -33.771
where: short stacking energy: -24.074
Base-Backbone interact. energy: -0.182
local terms energy: -46.592152
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -8.297
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -233.814743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.814743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.814743 (E_RNA)
where:
Base-Base interactions energy: -150.281
where: short stacking energy: -83.625
Base-Backbone interact. energy: -0.002
local terms energy: -83.530927
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -25.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -225.716282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.716282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.716282 (E_RNA)
where:
Base-Base interactions energy: -147.808
where: short stacking energy: -78.573
Base-Backbone interact. energy: -0.009
local terms energy: -77.899979
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -23.244
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -201.964041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.964041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.964041 (E_RNA)
where:
Base-Base interactions energy: -123.547
where: short stacking energy: -59.536
Base-Backbone interact. energy: -0.074
local terms energy: -78.343264
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -208.543907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.543907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.543907 (E_RNA)
where:
Base-Base interactions energy: -134.628
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.893
local terms energy: -73.023347
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -180.229338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.229338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.229338 (E_RNA)
where:
Base-Base interactions energy: -121.068
where: short stacking energy: -45.704
Base-Backbone interact. energy: 0.081
local terms energy: -59.242035
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -109.038458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.038458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.038458 (E_RNA)
where:
Base-Base interactions energy: -48.378
where: short stacking energy: -48.378
Base-Backbone interact. energy: -0.094
local terms energy: -60.566744
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.006
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: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -99.693499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.693499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.693499 (E_RNA)
where:
Base-Base interactions energy: -44.656
where: short stacking energy: -44.656
Base-Backbone interact. energy: -0.216
local terms energy: -54.820877
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -93.845858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.845858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.845858 (E_RNA)
where:
Base-Base interactions energy: -35.654
where: short stacking energy: -35.654
Base-Backbone interact. energy: -0.066
local terms energy: -58.126029
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -7.664
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: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -122.931516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.931516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.931516 (E_RNA)
where:
Base-Base interactions energy: -67.868
where: short stacking energy: -24.790
Base-Backbone interact. energy: -0.309
local terms energy: -54.754094
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -77.742248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.742248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.742248 (E_RNA)
where:
Base-Base interactions energy: -25.195
where: short stacking energy: -21.985
Base-Backbone interact. energy: -0.094
local terms energy: -52.453845
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -8.649
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: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -233.112667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.112667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.112667 (E_RNA)
where:
Base-Base interactions energy: -142.870
where: short stacking energy: -78.599
Base-Backbone interact. energy: -0.091
local terms energy: -90.151510
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -232.723046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.723046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.723046 (E_RNA)
where:
Base-Base interactions energy: -152.083
where: short stacking energy: -85.657
Base-Backbone interact. energy: -0.003
local terms energy: -80.636896
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -210.809940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.809940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.809940 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.004
local terms energy: -74.552006
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -210.977379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.977379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.977379 (E_RNA)
where:
Base-Base interactions energy: -127.911
where: short stacking energy: -68.029
Base-Backbone interact. energy: -0.141
local terms energy: -82.925384
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -185.455459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.455459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.455459 (E_RNA)
where:
Base-Base interactions energy: -131.129
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.142
local terms energy: -54.184821
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -112.708494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.708494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.708494 (E_RNA)
where:
Base-Base interactions energy: -60.031
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.016
local terms energy: -52.661454
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -3.068
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -98.601389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.601389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.601389 (E_RNA)
where:
Base-Base interactions energy: -42.955
where: short stacking energy: -25.843
Base-Backbone interact. energy: 0.022
local terms energy: -55.668625
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -93.182736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.182736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.182736 (E_RNA)
where:
Base-Base interactions energy: -42.190
where: short stacking energy: -33.154
Base-Backbone interact. energy: -0.032
local terms energy: -50.960236
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -152.580944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.580944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.580944 (E_RNA)
where:
Base-Base interactions energy: -90.141
where: short stacking energy: -40.484
Base-Backbone interact. energy: 0.137
local terms energy: -62.576947
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -83.484860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.484860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.484860 (E_RNA)
where:
Base-Base interactions energy: -27.159
where: short stacking energy: -26.353
Base-Backbone interact. energy: 0.683
local terms energy: -57.008661
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -12.863
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: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -224.440133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.440133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.440133 (E_RNA)
where:
Base-Base interactions energy: -146.652
where: short stacking energy: -83.923
Base-Backbone interact. energy: -0.019
local terms energy: -77.769261
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -10.761
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: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -220.570711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.570711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.570711 (E_RNA)
where:
Base-Base interactions energy: -137.255
where: short stacking energy: -76.824
Base-Backbone interact. energy: -0.029
local terms energy: -83.287260
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -12.205
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: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -224.596465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596465 (E_RNA)
where:
Base-Base interactions energy: -143.524
where: short stacking energy: -82.885
Base-Backbone interact. energy: -0.050
local terms energy: -81.022016
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -205.960959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.960959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.960959 (E_RNA)
where:
Base-Base interactions energy: -123.908
where: short stacking energy: -66.953
Base-Backbone interact. energy: 0.710
local terms energy: -82.762834
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -19.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -180.902206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.902206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.902206 (E_RNA)
where:
Base-Base interactions energy: -116.032
where: short stacking energy: -58.780
Base-Backbone interact. energy: 2.197
local terms energy: -67.067066
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -13.527
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: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -122.906850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.906850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.906850 (E_RNA)
where:
Base-Base interactions energy: -60.591
where: short stacking energy: -47.090
Base-Backbone interact. energy: -0.316
local terms energy: -62.000554
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -8.968
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -94.030918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.030918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.030918 (E_RNA)
where:
Base-Base interactions energy: -34.822
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.193
local terms energy: -59.016200
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -178.172049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.172049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.172049 (E_RNA)
where:
Base-Base interactions energy: -114.110
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.135
local terms energy: -63.926314
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -85.190638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.190638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.190638 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -38.965
Base-Backbone interact. energy: 1.570
local terms energy: -47.795722
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -6.535
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: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -71.553646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.553646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.553646 (E_RNA)
where:
Base-Base interactions energy: -22.409
where: short stacking energy: -22.409
Base-Backbone interact. energy: -0.055
local terms energy: -49.089645
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -229.380961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.380961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.380961 (E_RNA)
where:
Base-Base interactions energy: -140.501
where: short stacking energy: -80.269
Base-Backbone interact. energy: -0.001
local terms energy: -88.878970
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -224.501002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.501002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.501002 (E_RNA)
where:
Base-Base interactions energy: -146.006
where: short stacking energy: -77.444
Base-Backbone interact. energy: -0.005
local terms energy: -78.490083
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -209.939350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.939350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.939350 (E_RNA)
where:
Base-Base interactions energy: -136.636
where: short stacking energy: -76.690
Base-Backbone interact. energy: -0.002
local terms energy: -73.301094
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -220.088707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.088707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.088707 (E_RNA)
where:
Base-Base interactions energy: -138.044
where: short stacking energy: -74.867
Base-Backbone interact. energy: -0.004
local terms energy: -82.040168
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -168.296488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.296488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.296488 (E_RNA)
where:
Base-Base interactions energy: -100.799
where: short stacking energy: -51.621
Base-Backbone interact. energy: -0.084
local terms energy: -67.413907
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -110.568858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.568858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.568858 (E_RNA)
where:
Base-Base interactions energy: -49.749
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.189
local terms energy: -60.630065
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -11.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -170.640489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.640489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.640489 (E_RNA)
where:
Base-Base interactions energy: -105.425
where: short stacking energy: -49.671
Base-Backbone interact. energy: -0.063
local terms energy: -65.152965
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -9.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -97.221265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.221265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.221265 (E_RNA)
where:
Base-Base interactions energy: -35.131
where: short stacking energy: -35.131
Base-Backbone interact. energy: -0.013
local terms energy: -62.076598
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -5.783
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: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -83.918473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.918473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.918473 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -32.376
Base-Backbone interact. energy: -0.536
local terms energy: -50.443604
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.954
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: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -95.862999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.862999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.862999 (E_RNA)
where:
Base-Base interactions energy: -38.417
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.569
local terms energy: -56.877128
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -222.764705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.764705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.764705 (E_RNA)
where:
Base-Base interactions energy: -140.046
where: short stacking energy: -71.697
Base-Backbone interact. energy: 0.642
local terms energy: -83.361510
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -221.721726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.721726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.721726 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.107
local terms energy: -78.835638
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -8.298
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: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -207.320172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.320172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.320172 (E_RNA)
where:
Base-Base interactions energy: -129.398
where: short stacking energy: -64.133
Base-Backbone interact. energy: -0.289
local terms energy: -77.633532
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -222.298287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.298287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.298287 (E_RNA)
where:
Base-Base interactions energy: -133.581
where: short stacking energy: -75.380
Base-Backbone interact. energy: -0.013
local terms energy: -88.704297
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -24.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -140.268420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.268420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.268420 (E_RNA)
where:
Base-Base interactions energy: -82.143
where: short stacking energy: -41.390
Base-Backbone interact. energy: -0.409
local terms energy: -57.717047
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -185.813492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.813492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.813492 (E_RNA)
where:
Base-Base interactions energy: -117.180
where: short stacking energy: -64.361
Base-Backbone interact. energy: -0.309
local terms energy: -68.324673
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -17.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -101.890841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.890841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.890841 (E_RNA)
where:
Base-Base interactions energy: -39.333
where: short stacking energy: -35.915
Base-Backbone interact. energy: -0.032
local terms energy: -62.525811
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -10.807
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: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -93.657780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.657780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.657780 (E_RNA)
where:
Base-Base interactions energy: -38.227
where: short stacking energy: -38.227
Base-Backbone interact. energy: -0.048
local terms energy: -55.382882
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -10.430
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: 69
Temperature: 1.300000
Total energy: -78.406135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.406135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.406135 (E_RNA)
where:
Base-Base interactions energy: -21.321
where: short stacking energy: -20.621
Base-Backbone interact. energy: -0.195
local terms energy: -56.890405
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -0.401
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: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -79.203927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.203927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.203927 (E_RNA)
where:
Base-Base interactions energy: -25.587
where: short stacking energy: -25.587
Base-Backbone interact. energy: -0.054
local terms energy: -53.562751
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -237.850312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.850312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.850312 (E_RNA)
where:
Base-Base interactions energy: -146.315
where: short stacking energy: -81.208
Base-Backbone interact. energy: -0.014
local terms energy: -91.520715
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -220.415444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.415444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.415444 (E_RNA)
where:
Base-Base interactions energy: -138.805
where: short stacking energy: -77.808
Base-Backbone interact. energy: -0.097
local terms energy: -81.513075
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -23.838
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: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -205.896159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.896159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.896159 (E_RNA)
where:
Base-Base interactions energy: -125.400
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.009
local terms energy: -80.487349
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -19.533
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: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -217.691701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.691701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.691701 (E_RNA)
where:
Base-Base interactions energy: -141.966
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.035
local terms energy: -75.691227
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -197.268317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.268317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.268317 (E_RNA)
where:
Base-Base interactions energy: -121.338
where: short stacking energy: -68.655
Base-Backbone interact. energy: -0.099
local terms energy: -75.831064
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -141.901919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.901919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.901919 (E_RNA)
where:
Base-Base interactions energy: -84.722
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.014
local terms energy: -57.165702
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -100.587172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.587172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.587172 (E_RNA)
where:
Base-Base interactions energy: -38.795
where: short stacking energy: -38.934
Base-Backbone interact. energy: -0.013
local terms energy: -61.778793
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -98.873356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.873356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.873356 (E_RNA)
where:
Base-Base interactions energy: -40.958
where: short stacking energy: -40.958
Base-Backbone interact. energy: -0.034
local terms energy: -57.881827
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -86.307973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.307973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.307973 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -32.345
Base-Backbone interact. energy: -0.332
local terms energy: -53.631459
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -80.448041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448041 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -29.479
Base-Backbone interact. energy: 0.160
local terms energy: -49.444735
where:
bonds (distance) C4'-P energy: -5.702
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -229.520286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.520286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.520286 (E_RNA)
where:
Base-Base interactions energy: -145.497
where: short stacking energy: -79.592
Base-Backbone interact. energy: -0.002
local terms energy: -84.021461
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -222.397263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.397263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.397263 (E_RNA)
where:
Base-Base interactions energy: -137.967
where: short stacking energy: -75.192
Base-Backbone interact. energy: -0.016
local terms energy: -84.413746
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -217.133510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.133510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.133510 (E_RNA)
where:
Base-Base interactions energy: -139.751
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.123
local terms energy: -77.260147
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -21.268
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: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -220.771139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.771139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.771139 (E_RNA)
where:
Base-Base interactions energy: -140.068
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.009
local terms energy: -80.694169
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -12.297
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: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -198.318075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.318075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.318075 (E_RNA)
where:
Base-Base interactions energy: -128.875
where: short stacking energy: -61.927
Base-Backbone interact. energy: -0.845
local terms energy: -68.597734
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.879
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: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -140.581861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.581861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.581861 (E_RNA)
where:
Base-Base interactions energy: -79.769
where: short stacking energy: -53.368
Base-Backbone interact. energy: 0.044
local terms energy: -60.856281
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -8.255
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -15.172
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: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -94.622717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.622717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.622717 (E_RNA)
where:
Base-Base interactions energy: -45.995
where: short stacking energy: -41.722
Base-Backbone interact. energy: -0.205
local terms energy: -48.423220
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -4.699
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -106.132285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.132285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.132285 (E_RNA)
where:
Base-Base interactions energy: -51.315
where: short stacking energy: -39.097
Base-Backbone interact. energy: -0.179
local terms energy: -54.637966
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -4.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -78.475523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.475523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.475523 (E_RNA)
where:
Base-Base interactions energy: -31.399
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.086
local terms energy: -46.990687
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -83.971324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.971324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.971324 (E_RNA)
where:
Base-Base interactions energy: -31.151
where: short stacking energy: -23.335
Base-Backbone interact. energy: -0.404
local terms energy: -52.417074
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -6.193
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -226.218424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.218424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.218424 (E_RNA)
where:
Base-Base interactions energy: -143.326
where: short stacking energy: -80.521
Base-Backbone interact. energy: -0.002
local terms energy: -82.890320
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -225.574028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.574028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.574028 (E_RNA)
where:
Base-Base interactions energy: -145.559
where: short stacking energy: -81.357
Base-Backbone interact. energy: -0.001
local terms energy: -80.014634
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -10.731
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: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -221.766393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.766393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.766393 (E_RNA)
where:
Base-Base interactions energy: -137.139
where: short stacking energy: -73.964
Base-Backbone interact. energy: -0.126
local terms energy: -84.501108
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -21.390
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: 72
Temperature: 1.050000
Total energy: -210.317854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.317854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.317854 (E_RNA)
where:
Base-Base interactions energy: -136.901
where: short stacking energy: -68.836
Base-Backbone interact. energy: -0.004
local terms energy: -73.413277
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -19.153
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: 5, replica: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -171.012942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.012942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.012942 (E_RNA)
where:
Base-Base interactions energy: -104.093
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.103
local terms energy: -66.816388
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -192.282780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.282780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.282780 (E_RNA)
where:
Base-Base interactions energy: -118.331
where: short stacking energy: -63.186
Base-Backbone interact. energy: -0.019
local terms energy: -73.932457
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -16.815
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: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -103.129207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.129207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.129207 (E_RNA)
where:
Base-Base interactions energy: -47.499
where: short stacking energy: -47.499
Base-Backbone interact. energy: -0.236
local terms energy: -55.394139
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -85.348163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.348163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.348163 (E_RNA)
where:
Base-Base interactions energy: -29.371
where: short stacking energy: -29.371
Base-Backbone interact. energy: 1.294
local terms energy: -57.270978
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -88.226902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.226902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.226902 (E_RNA)
where:
Base-Base interactions energy: -33.316
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.009
local terms energy: -54.901711
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -80.457339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.457339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.457339 (E_RNA)
where:
Base-Base interactions energy: -28.432
where: short stacking energy: -26.963
Base-Backbone interact. energy: -0.241
local terms energy: -51.783970
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -223.640142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.640142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.640142 (E_RNA)
where:
Base-Base interactions energy: -143.725
where: short stacking energy: -74.715
Base-Backbone interact. energy: -0.249
local terms energy: -79.666239
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -224.822119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.822119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.822119 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -77.107
Base-Backbone interact. energy: -0.028
local terms energy: -85.378953
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -10.810
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: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -221.800437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.800437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.800437 (E_RNA)
where:
Base-Base interactions energy: -141.989
where: short stacking energy: -72.938
Base-Backbone interact. energy: -0.001
local terms energy: -79.810911
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -202.845904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.845904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.845904 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -67.718
Base-Backbone interact. energy: -0.795
local terms energy: -76.328761
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -16.894
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -157.504688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.504688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.504688 (E_RNA)
where:
Base-Base interactions energy: -86.765
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.098
local terms energy: -70.641446
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -187.433943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.433943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.433943 (E_RNA)
where:
Base-Base interactions energy: -120.746
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.004
local terms energy: -66.683748
where:
bonds (distance) C4'-P energy: -7.290
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -102.747825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.747825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.747825 (E_RNA)
where:
Base-Base interactions energy: -44.651
where: short stacking energy: -36.435
Base-Backbone interact. energy: -0.409
local terms energy: -57.687517
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -88.558071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.558071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.558071 (E_RNA)
where:
Base-Base interactions energy: -34.438
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.045
local terms energy: -54.074829
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -80.298360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.298360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.298360 (E_RNA)
where:
Base-Base interactions energy: -32.630
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.125
local terms energy: -47.542697
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -7.079
flat angles P-C4'-P energy: -3.291
tors. eta vs tors. theta energy: -5.137
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: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -93.043606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.043606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.043606 (E_RNA)
where:
Base-Base interactions energy: -36.253
where: short stacking energy: -33.928
Base-Backbone interact. energy: -0.029
local terms energy: -56.761021
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -229.102573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.102573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.102573 (E_RNA)
where:
Base-Base interactions energy: -146.079
where: short stacking energy: -80.673
Base-Backbone interact. energy: -0.017
local terms energy: -83.005834
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -222.605526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.605526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.605526 (E_RNA)
where:
Base-Base interactions energy: -137.824
where: short stacking energy: -73.640
Base-Backbone interact. energy: -0.609
local terms energy: -84.172306
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -219.845449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.845449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.845449 (E_RNA)
where:
Base-Base interactions energy: -137.552
where: short stacking energy: -75.532
Base-Backbone interact. energy: -0.799
local terms energy: -81.494713
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -20.830
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: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -205.852705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.852705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.852705 (E_RNA)
where:
Base-Base interactions energy: -132.510
where: short stacking energy: -71.497
Base-Backbone interact. energy: -0.009
local terms energy: -73.333216
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -11.737
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: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -192.575474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.575474 (E_RNA)
where:
Base-Base interactions energy: -121.468
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.090
local terms energy: -71.017418
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -148.877133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.877133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.877133 (E_RNA)
where:
Base-Base interactions energy: -94.262
where: short stacking energy: -42.105
Base-Backbone interact. energy: 0.076
local terms energy: -54.691395
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -7.114
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -92.980815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.980815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.980815 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -33.782
Base-Backbone interact. energy: -0.352
local terms energy: -51.141042
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -93.604604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.604604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.604604 (E_RNA)
where:
Base-Base interactions energy: -38.669
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.160
local terms energy: -54.775077
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -93.374189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.374189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.374189 (E_RNA)
where:
Base-Base interactions energy: -39.919
where: short stacking energy: -39.919
Base-Backbone interact. energy: -0.093
local terms energy: -53.362151
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -12.987
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: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -83.632286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.632286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.632286 (E_RNA)
where:
Base-Base interactions energy: -34.819
where: short stacking energy: -32.355
Base-Backbone interact. energy: 0.422
local terms energy: -49.235165
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -235.965534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.965534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.965534 (E_RNA)
where:
Base-Base interactions energy: -147.730
where: short stacking energy: -84.530
Base-Backbone interact. energy: -0.019
local terms energy: -88.216830
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -227.029596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.029596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.029596 (E_RNA)
where:
Base-Base interactions energy: -140.766
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.001
local terms energy: -86.262991
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -217.628760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.628760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.628760 (E_RNA)
where:
Base-Base interactions energy: -143.568
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.475
local terms energy: -73.585714
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -198.765165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.765165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.765165 (E_RNA)
where:
Base-Base interactions energy: -135.286
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.102
local terms energy: -63.376577
where:
bonds (distance) C4'-P energy: -5.759
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -7.966
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: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -193.674445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.674445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.674445 (E_RNA)
where:
Base-Base interactions energy: -127.113
where: short stacking energy: -70.673
Base-Backbone interact. energy: -0.641
local terms energy: -65.920595
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -133.073550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.073550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.073550 (E_RNA)
where:
Base-Base interactions energy: -76.183
where: short stacking energy: -36.915
Base-Backbone interact. energy: -0.333
local terms energy: -56.557358
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -9.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -104.995432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.995432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.995432 (E_RNA)
where:
Base-Base interactions energy: -46.561
where: short stacking energy: -34.698
Base-Backbone interact. energy: -0.066
local terms energy: -58.368889
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -6.012
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: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -87.884380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.884380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.884380 (E_RNA)
where:
Base-Base interactions energy: -34.281
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.438
local terms energy: -53.165233
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -87.343441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.343441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.343441 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.232
local terms energy: -52.071549
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -71.417202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.417202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.417202 (E_RNA)
where:
Base-Base interactions energy: -24.262
where: short stacking energy: -24.157
Base-Backbone interact. energy: -0.212
local terms energy: -46.942853
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: 1.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -229.047347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.047347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.047347 (E_RNA)
where:
Base-Base interactions energy: -146.222
where: short stacking energy: -81.209
Base-Backbone interact. energy: -0.079
local terms energy: -82.745924
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -11.875
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: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -222.809718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.809718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.809718 (E_RNA)
where:
Base-Base interactions energy: -145.969
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.002
local terms energy: -76.839149
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -211.372350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.372350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.372350 (E_RNA)
where:
Base-Base interactions energy: -133.437
where: short stacking energy: -66.446
Base-Backbone interact. energy: -0.060
local terms energy: -77.875371
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -206.670238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.670238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.670238 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -67.282
Base-Backbone interact. energy: -0.038
local terms energy: -76.839097
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -186.441647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.441647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.441647 (E_RNA)
where:
Base-Base interactions energy: -118.422
where: short stacking energy: -59.169
Base-Backbone interact. energy: 0.167
local terms energy: -68.186691
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -13.037
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -165.604042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.604042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.604042 (E_RNA)
where:
Base-Base interactions energy: -101.705
where: short stacking energy: -49.083
Base-Backbone interact. energy: -0.020
local terms energy: -63.878136
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -123.443386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.443386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.443386 (E_RNA)
where:
Base-Base interactions energy: -67.458
where: short stacking energy: -41.555
Base-Backbone interact. energy: -0.211
local terms energy: -55.774378
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -83.630286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.630286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.630286 (E_RNA)
where:
Base-Base interactions energy: -31.781
where: short stacking energy: -31.737
Base-Backbone interact. energy: -0.331
local terms energy: -51.518685
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -83.507267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.507267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.507267 (E_RNA)
where:
Base-Base interactions energy: -29.842
where: short stacking energy: -23.995
Base-Backbone interact. energy: -0.107
local terms energy: -53.558544
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -83.241573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241573 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -31.395
Base-Backbone interact. energy: -0.398
local terms energy: -51.448567
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -220.311776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.311776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.311776 (E_RNA)
where:
Base-Base interactions energy: -143.549
where: short stacking energy: -74.026
Base-Backbone interact. energy: -0.147
local terms energy: -76.616259
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -18.275
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: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -226.172851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.172851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.172851 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -83.834
Base-Backbone interact. energy: -0.005
local terms energy: -80.378287
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -24.191
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: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -212.832148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.832148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.832148 (E_RNA)
where:
Base-Base interactions energy: -129.157
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.000
local terms energy: -83.675172
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -188.186871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.186871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.186871 (E_RNA)
where:
Base-Base interactions energy: -119.693
where: short stacking energy: -57.640
Base-Backbone interact. energy: -0.006
local terms energy: -68.487608
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -216.339452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.339452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.339452 (E_RNA)
where:
Base-Base interactions energy: -136.920
where: short stacking energy: -74.125
Base-Backbone interact. energy: -0.020
local terms energy: -79.399372
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.482
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: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -134.171828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.171828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.171828 (E_RNA)
where:
Base-Base interactions energy: -78.246
where: short stacking energy: -41.625
Base-Backbone interact. energy: -0.196
local terms energy: -55.730520
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -6.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -113.177977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.177977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.177977 (E_RNA)
where:
Base-Base interactions energy: -53.887
where: short stacking energy: -37.387
Base-Backbone interact. energy: -0.283
local terms energy: -59.007617
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -93.464960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464960 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -37.625
Base-Backbone interact. energy: -0.113
local terms energy: -55.726956
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -87.467566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.467566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.467566 (E_RNA)
where:
Base-Base interactions energy: -35.266
where: short stacking energy: -14.700
Base-Backbone interact. energy: 0.280
local terms energy: -52.481568
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -79.778146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.778146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.778146 (E_RNA)
where:
Base-Base interactions energy: -29.452
where: short stacking energy: -29.452
Base-Backbone interact. energy: -0.134
local terms energy: -50.192824
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -3.593
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: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -234.651449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.651449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.651449 (E_RNA)
where:
Base-Base interactions energy: -152.856
where: short stacking energy: -82.672
Base-Backbone interact. energy: 0.078
local terms energy: -81.873781
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -12.235
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: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -226.440430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.440430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.440430 (E_RNA)
where:
Base-Base interactions energy: -145.711
where: short stacking energy: -86.260
Base-Backbone interact. energy: -0.000
local terms energy: -80.729088
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -201.978790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.978790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.978790 (E_RNA)
where:
Base-Base interactions energy: -127.923
where: short stacking energy: -68.481
Base-Backbone interact. energy: -0.098
local terms energy: -73.957946
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.798
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: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -208.760777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.760777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.760777 (E_RNA)
where:
Base-Base interactions energy: -131.518
where: short stacking energy: -68.764
Base-Backbone interact. energy: -0.102
local terms energy: -77.140306
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -202.558661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.558661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.558661 (E_RNA)
where:
Base-Base interactions energy: -129.736
where: short stacking energy: -59.995
Base-Backbone interact. energy: -0.042
local terms energy: -72.780267
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -135.814826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.814826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.814826 (E_RNA)
where:
Base-Base interactions energy: -67.835
where: short stacking energy: -51.022
Base-Backbone interact. energy: -0.085
local terms energy: -67.894757
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -4.138
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -122.729956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.729956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.729956 (E_RNA)
where:
Base-Base interactions energy: -65.509
where: short stacking energy: -49.824
Base-Backbone interact. energy: -0.021
local terms energy: -57.199405
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -136.267484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.267484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.267484 (E_RNA)
where:
Base-Base interactions energy: -80.612
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.145
local terms energy: -55.510985
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -1.527
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: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -87.732189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732189 (E_RNA)
where:
Base-Base interactions energy: -39.577
where: short stacking energy: -39.577
Base-Backbone interact. energy: -0.090
local terms energy: -48.065735
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -9.882
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: 7
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -87.384566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.384566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.384566 (E_RNA)
where:
Base-Base interactions energy: -37.149
where: short stacking energy: -21.298
Base-Backbone interact. energy: 0.698
local terms energy: -50.933852
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -226.336811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.336811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.336811 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -75.857
Base-Backbone interact. energy: -0.020
local terms energy: -85.309133
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -22.949
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: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -224.183857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.183857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.183857 (E_RNA)
where:
Base-Base interactions energy: -144.515
where: short stacking energy: -76.877
Base-Backbone interact. energy: -0.065
local terms energy: -79.603422
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -23.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -201.571169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.571169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571169 (E_RNA)
where:
Base-Base interactions energy: -126.783
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.142
local terms energy: -74.646906
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -6.520
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: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -196.286756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.286756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.286756 (E_RNA)
where:
Base-Base interactions energy: -131.713
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.238
local terms energy: -64.334805
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -178.074901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.074901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.074901 (E_RNA)
where:
Base-Base interactions energy: -112.328
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.579
local terms energy: -65.167430
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -141.258694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.258694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.258694 (E_RNA)
where:
Base-Base interactions energy: -77.791
where: short stacking energy: -45.135
Base-Backbone interact. energy: -0.381
local terms energy: -63.086951
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -90.965020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.965020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.965020 (E_RNA)
where:
Base-Base interactions energy: -39.242
where: short stacking energy: -34.643
Base-Backbone interact. energy: 0.670
local terms energy: -52.393165
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -0.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -125.524812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.524812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.524812 (E_RNA)
where:
Base-Base interactions energy: -66.190
where: short stacking energy: -32.777
Base-Backbone interact. energy: 0.793
local terms energy: -60.127779
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -74.713097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.713097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.713097 (E_RNA)
where:
Base-Base interactions energy: -23.173
where: short stacking energy: -17.019
Base-Backbone interact. energy: -0.222
local terms energy: -51.318636
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: 1.082
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: 7
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -77.359521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.359521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.359521 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -32.871
Base-Backbone interact. energy: -0.177
local terms energy: -44.311129
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: 1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -230.645720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.645720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.645720 (E_RNA)
where:
Base-Base interactions energy: -141.236
where: short stacking energy: -80.214
Base-Backbone interact. energy: -0.028
local terms energy: -89.380954
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -225.174993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.174993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.174993 (E_RNA)
where:
Base-Base interactions energy: -141.951
where: short stacking energy: -75.541
Base-Backbone interact. energy: -0.043
local terms energy: -83.181438
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -209.435948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.435948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.435948 (E_RNA)
where:
Base-Base interactions energy: -129.393
where: short stacking energy: -66.602
Base-Backbone interact. energy: -0.038
local terms energy: -80.004772
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -12.945
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: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -206.939771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.939771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.939771 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -73.972
Base-Backbone interact. energy: -0.005
local terms energy: -72.557897
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -22.241
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: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -149.679655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.679655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.679655 (E_RNA)
where:
Base-Base interactions energy: -86.840
where: short stacking energy: -48.923
Base-Backbone interact. energy: -0.096
local terms energy: -62.743824
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -7.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -186.546765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.546765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.546765 (E_RNA)
where:
Base-Base interactions energy: -109.744
where: short stacking energy: -55.608
Base-Backbone interact. energy: -0.006
local terms energy: -76.796759
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -145.321631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.321631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.321631 (E_RNA)
where:
Base-Base interactions energy: -79.069
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.176
local terms energy: -66.077293
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -94.149665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.149665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.149665 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -32.208
Base-Backbone interact. energy: -0.188
local terms energy: -57.624062
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -86.616606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.616606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.616606 (E_RNA)
where:
Base-Base interactions energy: -33.073
where: short stacking energy: -33.073
Base-Backbone interact. energy: -0.041
local terms energy: -53.502676
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -89.059913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.059913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.059913 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.359
local terms energy: -55.536918
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.010
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: 1, replica: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -229.969342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.969342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.969342 (E_RNA)
where:
Base-Base interactions energy: -146.110
where: short stacking energy: -82.657
Base-Backbone interact. energy: -0.051
local terms energy: -83.808565
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -225.031228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.031228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.031228 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -79.540
Base-Backbone interact. energy: -0.049
local terms energy: -81.030498
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -24.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -204.314426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.314426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.314426 (E_RNA)
where:
Base-Base interactions energy: -124.437
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.013
local terms energy: -79.864651
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -16.191
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: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -215.060235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.060235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.060235 (E_RNA)
where:
Base-Base interactions energy: -142.757
where: short stacking energy: -83.063
Base-Backbone interact. energy: -0.000
local terms energy: -72.302844
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -148.085379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.085379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.085379 (E_RNA)
where:
Base-Base interactions energy: -89.177
where: short stacking energy: -39.587
Base-Backbone interact. energy: -0.545
local terms energy: -58.363240
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -195.721161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.721161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.721161 (E_RNA)
where:
Base-Base interactions energy: -127.379
where: short stacking energy: -72.915
Base-Backbone interact. energy: -0.084
local terms energy: -68.258469
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -149.132313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.132313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.132313 (E_RNA)
where:
Base-Base interactions energy: -86.269
where: short stacking energy: -39.549
Base-Backbone interact. energy: -0.126
local terms energy: -62.737291
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -97.074757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.074757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.074757 (E_RNA)
where:
Base-Base interactions energy: -41.475
where: short stacking energy: -41.325
Base-Backbone interact. energy: -0.022
local terms energy: -55.577716
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -89.191394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.191394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.191394 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.066
local terms energy: -51.370175
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -7.146
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: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -84.119852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.119852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.119852 (E_RNA)
where:
Base-Base interactions energy: -31.512
where: short stacking energy: -31.512
Base-Backbone interact. energy: -0.182
local terms energy: -52.426244
where:
bonds (distance) C4'-P energy: -3.333
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -8.494
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: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -233.519001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.519001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.519001 (E_RNA)
where:
Base-Base interactions energy: -150.113
where: short stacking energy: -86.593
Base-Backbone interact. energy: -0.019
local terms energy: -83.386839
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -23.996
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: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -225.880062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.880062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.880062 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -71.921
Base-Backbone interact. energy: -0.014
local terms energy: -82.328150
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -212.574997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.574997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.574997 (E_RNA)
where:
Base-Base interactions energy: -131.056
where: short stacking energy: -65.392
Base-Backbone interact. energy: 0.633
local terms energy: -82.151645
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -209.316225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.316225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.316225 (E_RNA)
where:
Base-Base interactions energy: -132.600
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.203
local terms energy: -76.513698
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -20.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -189.007322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.007322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.007322 (E_RNA)
where:
Base-Base interactions energy: -115.882
where: short stacking energy: -64.571
Base-Backbone interact. energy: -0.084
local terms energy: -73.041365
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -15.048
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: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -157.700895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.700895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.700895 (E_RNA)
where:
Base-Base interactions energy: -93.096
where: short stacking energy: -47.056
Base-Backbone interact. energy: -0.284
local terms energy: -64.321222
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -12.376
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: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -160.384411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.384411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.384411 (E_RNA)
where:
Base-Base interactions energy: -104.729
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.136
local terms energy: -55.519703
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -8.214
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: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -94.314867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.314867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.314867 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -36.471
Base-Backbone interact. energy: -0.093
local terms energy: -57.551699
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -85.263343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.263343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.263343 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -27.341
Base-Backbone interact. energy: 1.474
local terms energy: -55.957635
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -7.873
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: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -75.419818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.419818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.419818 (E_RNA)
where:
Base-Base interactions energy: -30.950
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.026
local terms energy: -44.444085
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -0.368
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: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -228.889234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.889234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.889234 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -81.653
Base-Backbone interact. energy: -0.016
local terms energy: -84.684725
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -233.678261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.678261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.678261 (E_RNA)
where:
Base-Base interactions energy: -151.208
where: short stacking energy: -86.920
Base-Backbone interact. energy: -0.024
local terms energy: -82.445966
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -216.544324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544324 (E_RNA)
where:
Base-Base interactions energy: -136.152
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.004
local terms energy: -80.387959
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -22.439
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -201.222604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.222604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.222604 (E_RNA)
where:
Base-Base interactions energy: -125.791
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.127
local terms energy: -75.304837
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -170.456111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.456111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.456111 (E_RNA)
where:
Base-Base interactions energy: -101.439
where: short stacking energy: -44.480
Base-Backbone interact. energy: 1.195
local terms energy: -70.212084
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -12.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -138.056984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.056984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.056984 (E_RNA)
where:
Base-Base interactions energy: -79.832
where: short stacking energy: -37.378
Base-Backbone interact. energy: 0.891
local terms energy: -59.116288
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -149.192112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.192112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.192112 (E_RNA)
where:
Base-Base interactions energy: -90.924
where: short stacking energy: -47.327
Base-Backbone interact. energy: 0.588
local terms energy: -58.856445
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -86.264462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.264462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.264462 (E_RNA)
where:
Base-Base interactions energy: -37.591
where: short stacking energy: -29.628
Base-Backbone interact. energy: -0.170
local terms energy: -48.503237
where:
bonds (distance) C4'-P energy: -5.025
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -80.305517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.305517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.305517 (E_RNA)
where:
Base-Base interactions energy: -31.105
where: short stacking energy: -30.757
Base-Backbone interact. energy: 0.521
local terms energy: -49.722011
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -80.287782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.287782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.287782 (E_RNA)
where:
Base-Base interactions energy: -31.678
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.282
local terms energy: -48.328078
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: 0.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -224.733278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.733278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.733278 (E_RNA)
where:
Base-Base interactions energy: -143.931
where: short stacking energy: -76.040
Base-Backbone interact. energy: -0.014
local terms energy: -80.788078
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -19.384
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: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -213.673641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.673641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.673641 (E_RNA)
where:
Base-Base interactions energy: -133.928
where: short stacking energy: -75.692
Base-Backbone interact. energy: -0.213
local terms energy: -79.532391
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -12.418
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: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -216.171261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.171261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.171261 (E_RNA)
where:
Base-Base interactions energy: -138.206
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.149
local terms energy: -77.816426
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -198.739550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.739550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.739550 (E_RNA)
where:
Base-Base interactions energy: -126.890
where: short stacking energy: -68.050
Base-Backbone interact. energy: -0.017
local terms energy: -71.832434
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -6.477
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: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -187.187343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.187343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.187343 (E_RNA)
where:
Base-Base interactions energy: -121.448
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.001
local terms energy: -65.738509
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -121.445887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.445887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.445887 (E_RNA)
where:
Base-Base interactions energy: -62.757
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.011
local terms energy: -58.678219
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -150.137545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.137545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.137545 (E_RNA)
where:
Base-Base interactions energy: -99.224
where: short stacking energy: -50.783
Base-Backbone interact. energy: -0.129
local terms energy: -50.784133
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -4.935
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -91.429805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.429805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.429805 (E_RNA)
where:
Base-Base interactions energy: -32.705
where: short stacking energy: -32.347
Base-Backbone interact. energy: -0.021
local terms energy: -58.703874
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -10.644
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: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -85.267003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.267003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.267003 (E_RNA)
where:
Base-Base interactions energy: -41.874
where: short stacking energy: -30.989
Base-Backbone interact. energy: -0.602
local terms energy: -42.790709
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -0.296
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -80.075950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.075950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.075950 (E_RNA)
where:
Base-Base interactions energy: -38.778
where: short stacking energy: -23.577
Base-Backbone interact. energy: -0.216
local terms energy: -41.082078
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: 2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -221.168870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.168870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.168870 (E_RNA)
where:
Base-Base interactions energy: -140.470
where: short stacking energy: -76.766
Base-Backbone interact. energy: -0.003
local terms energy: -80.695064
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -222.242922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.242922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.242922 (E_RNA)
where:
Base-Base interactions energy: -142.564
where: short stacking energy: -76.637
Base-Backbone interact. energy: -0.003
local terms energy: -79.676864
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -211.191368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.191368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.191368 (E_RNA)
where:
Base-Base interactions energy: -135.112
where: short stacking energy: -66.879
Base-Backbone interact. energy: -0.101
local terms energy: -75.978038
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -195.496022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.496022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.496022 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -70.439
Base-Backbone interact. energy: 0.879
local terms energy: -72.081548
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -198.321760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.321760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.321760 (E_RNA)
where:
Base-Base interactions energy: -126.004
where: short stacking energy: -60.685
Base-Backbone interact. energy: -0.094
local terms energy: -72.223741
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -12.397
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: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -177.387017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.387017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.387017 (E_RNA)
where:
Base-Base interactions energy: -108.524
where: short stacking energy: -52.928
Base-Backbone interact. energy: -0.549
local terms energy: -68.313416
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -106.856227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.856227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.856227 (E_RNA)
where:
Base-Base interactions energy: -52.038
where: short stacking energy: -26.070
Base-Backbone interact. energy: -1.463
local terms energy: -53.354605
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -88.161152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.161152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.161152 (E_RNA)
where:
Base-Base interactions energy: -36.919
where: short stacking energy: -24.879
Base-Backbone interact. energy: -0.128
local terms energy: -51.113254
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -4.848
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: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -82.025659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.025659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.025659 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.125
local terms energy: -52.073888
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -82.687694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.687694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.687694 (E_RNA)
where:
Base-Base interactions energy: -39.764
where: short stacking energy: -27.015
Base-Backbone interact. energy: -0.146
local terms energy: -42.777783
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -9.226
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: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -225.322474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.322474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.322474 (E_RNA)
where:
Base-Base interactions energy: -143.072
where: short stacking energy: -77.441
Base-Backbone interact. energy: -0.014
local terms energy: -82.236329
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -228.441280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.441280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.441280 (E_RNA)
where:
Base-Base interactions energy: -154.921
where: short stacking energy: -84.713
Base-Backbone interact. energy: 0.161
local terms energy: -73.681035
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -204.757952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.757952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.757952 (E_RNA)
where:
Base-Base interactions energy: -133.803
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.115
local terms energy: -70.839904
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -191.925491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.925491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.925491 (E_RNA)
where:
Base-Base interactions energy: -129.244
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.274
local terms energy: -62.407782
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -194.464804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.464804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.464804 (E_RNA)
where:
Base-Base interactions energy: -116.212
where: short stacking energy: -47.401
Base-Backbone interact. energy: -0.073
local terms energy: -78.179895
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -15.245
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: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -196.951092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.951092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.951092 (E_RNA)
where:
Base-Base interactions energy: -120.527
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.017
local terms energy: -76.406345
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -8.946
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: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -106.981480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.981480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.981480 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -27.416
Base-Backbone interact. energy: 0.472
local terms energy: -55.123009
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -101.369849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.369849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.369849 (E_RNA)
where:
Base-Base interactions energy: -45.785
where: short stacking energy: -43.204
Base-Backbone interact. energy: -0.029
local terms energy: -55.556318
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -8.266
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: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -94.412037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.412037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.412037 (E_RNA)
where:
Base-Base interactions energy: -39.299
where: short stacking energy: -32.168
Base-Backbone interact. energy: -0.063
local terms energy: -55.050172
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -88.356882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.356882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.356882 (E_RNA)
where:
Base-Base interactions energy: -33.123
where: short stacking energy: -33.523
Base-Backbone interact. energy: -0.317
local terms energy: -54.917418
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -224.030381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.030381 (E_RNA)
where:
Base-Base interactions energy: -139.187
where: short stacking energy: -79.461
Base-Backbone interact. energy: -0.028
local terms energy: -84.815230
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -22.498
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: 2, replica: 6
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -215.687808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.687808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.687808 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.179
local terms energy: -81.854409
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -18.844
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -224.106295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.106295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.106295 (E_RNA)
where:
Base-Base interactions energy: -139.132
where: short stacking energy: -78.113
Base-Backbone interact. energy: -0.011
local terms energy: -84.962344
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -193.336281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.336281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.336281 (E_RNA)
where:
Base-Base interactions energy: -116.435
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.399
local terms energy: -76.502525
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -16.807
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: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -184.175174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.175174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.175174 (E_RNA)
where:
Base-Base interactions energy: -114.627
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.055
local terms energy: -69.492963
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -190.470126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.470126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.470126 (E_RNA)
where:
Base-Base interactions energy: -120.040
where: short stacking energy: -59.359
Base-Backbone interact. energy: 1.618
local terms energy: -72.047746
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -92.356425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.356425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.356425 (E_RNA)
where:
Base-Base interactions energy: -34.614
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.034
local terms energy: -57.708139
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -99.093423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.093423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.093423 (E_RNA)
where:
Base-Base interactions energy: -38.212
where: short stacking energy: -37.565
Base-Backbone interact. energy: 0.380
local terms energy: -61.261806
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -90.753390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.753390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.753390 (E_RNA)
where:
Base-Base interactions energy: -36.865
where: short stacking energy: -36.865
Base-Backbone interact. energy: 0.453
local terms energy: -54.341247
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -84.941106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.941106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.941106 (E_RNA)
where:
Base-Base interactions energy: -33.015
where: short stacking energy: -33.015
Base-Backbone interact. energy: -0.193
local terms energy: -51.733429
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -211.792666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.792666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.792666 (E_RNA)
where:
Base-Base interactions energy: -139.344
where: short stacking energy: -77.462
Base-Backbone interact. energy: -0.111
local terms energy: -72.337516
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -14.030
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -224.066806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.066806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.066806 (E_RNA)
where:
Base-Base interactions energy: -137.595
where: short stacking energy: -81.547
Base-Backbone interact. energy: -0.247
local terms energy: -86.225046
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -213.520459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.520459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.520459 (E_RNA)
where:
Base-Base interactions energy: -131.615
where: short stacking energy: -69.698
Base-Backbone interact. energy: -0.030
local terms energy: -81.875823
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -195.465606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.465606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.465606 (E_RNA)
where:
Base-Base interactions energy: -119.669
where: short stacking energy: -61.844
Base-Backbone interact. energy: -0.137
local terms energy: -75.659647
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -13.748
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: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -171.025743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.025743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.025743 (E_RNA)
where:
Base-Base interactions energy: -108.129
where: short stacking energy: -48.842
Base-Backbone interact. energy: -0.422
local terms energy: -62.474536
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -5.860
flat angles P-C4'-P energy: -13.531
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: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -180.362019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.362019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.362019 (E_RNA)
where:
Base-Base interactions energy: -108.782
where: short stacking energy: -64.832
Base-Backbone interact. energy: 0.789
local terms energy: -72.368873
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -113.385931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.385931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.385931 (E_RNA)
where:
Base-Base interactions energy: -59.218
where: short stacking energy: -34.715
Base-Backbone interact. energy: -0.203
local terms energy: -53.964401
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -4.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -95.620374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.620374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.620374 (E_RNA)
where:
Base-Base interactions energy: -38.656
where: short stacking energy: -38.656
Base-Backbone interact. energy: -0.100
local terms energy: -56.864456
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -8.195
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: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -80.653105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.653105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.653105 (E_RNA)
where:
Base-Base interactions energy: -31.289
where: short stacking energy: -23.834
Base-Backbone interact. energy: -0.291
local terms energy: -49.072946
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -0.534
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: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -74.899498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.899498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.899498 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -29.149
Base-Backbone interact. energy: -0.084
local terms energy: -45.666486
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: 3.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -229.657677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.657677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.657677 (E_RNA)
where:
Base-Base interactions energy: -143.023
where: short stacking energy: -80.330
Base-Backbone interact. energy: -0.008
local terms energy: -86.625809
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -23.402
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: 2, replica: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -219.328792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.328792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.328792 (E_RNA)
where:
Base-Base interactions energy: -140.022
where: short stacking energy: -77.568
Base-Backbone interact. energy: -0.406
local terms energy: -78.900957
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -22.403
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: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -211.242161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.242161 (E_RNA)
where:
Base-Base interactions energy: -127.958
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.118
local terms energy: -83.166812
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -207.387187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.387187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.387187 (E_RNA)
where:
Base-Base interactions energy: -134.448
where: short stacking energy: -76.836
Base-Backbone interact. energy: -0.002
local terms energy: -72.937283
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -181.822804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.822804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.822804 (E_RNA)
where:
Base-Base interactions energy: -108.831
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.067
local terms energy: -72.925205
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -6.761
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: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -184.597798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.597798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.597798 (E_RNA)
where:
Base-Base interactions energy: -115.456
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.008
local terms energy: -69.134647
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -123.728936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.728936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.728936 (E_RNA)
where:
Base-Base interactions energy: -67.834
where: short stacking energy: -44.358
Base-Backbone interact. energy: -1.391
local terms energy: -54.503432
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -7.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -90.127548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.127548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.127548 (E_RNA)
where:
Base-Base interactions energy: -35.972
where: short stacking energy: -32.817
Base-Backbone interact. energy: -0.120
local terms energy: -54.034779
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -84.046307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.046307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.046307 (E_RNA)
where:
Base-Base interactions energy: -32.422
where: short stacking energy: -28.153
Base-Backbone interact. energy: -0.551
local terms energy: -51.073880
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -102.053537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.053537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.053537 (E_RNA)
where:
Base-Base interactions energy: -49.707
where: short stacking energy: -44.540
Base-Backbone interact. energy: -0.237
local terms energy: -52.108933
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -2.596
tors. eta vs tors. theta energy: -10.795
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: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -231.410372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.410372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.410372 (E_RNA)
where:
Base-Base interactions energy: -143.650
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.050
local terms energy: -87.710182
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -12.128
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: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -228.724598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.724598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.724598 (E_RNA)
where:
Base-Base interactions energy: -144.739
where: short stacking energy: -76.848
Base-Backbone interact. energy: -0.239
local terms energy: -83.746471
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -217.680103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.680103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.680103 (E_RNA)
where:
Base-Base interactions energy: -137.209
where: short stacking energy: -79.283
Base-Backbone interact. energy: -0.004
local terms energy: -80.467064
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -22.668
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: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -208.332959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.332959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.332959 (E_RNA)
where:
Base-Base interactions energy: -137.232
where: short stacking energy: -64.258
Base-Backbone interact. energy: 0.431
local terms energy: -71.531866
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -189.507641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.507641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.507641 (E_RNA)
where:
Base-Base interactions energy: -118.219
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.095
local terms energy: -71.193539
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -206.423011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.423011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.423011 (E_RNA)
where:
Base-Base interactions energy: -129.172
where: short stacking energy: -64.337
Base-Backbone interact. energy: -0.437
local terms energy: -76.813965
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -96.804945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.804945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.804945 (E_RNA)
where:
Base-Base interactions energy: -36.738
where: short stacking energy: -36.738
Base-Backbone interact. energy: -0.122
local terms energy: -59.945019
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -80.080194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.080194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.080194 (E_RNA)
where:
Base-Base interactions energy: -28.945
where: short stacking energy: -28.945
Base-Backbone interact. energy: -0.079
local terms energy: -51.055277
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -86.819737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.819737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.819737 (E_RNA)
where:
Base-Base interactions energy: -37.193
where: short stacking energy: -34.398
Base-Backbone interact. energy: -0.102
local terms energy: -49.524313
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -79.043073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.043073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.043073 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -30.857
Base-Backbone interact. energy: 1.746
local terms energy: -49.596911
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -236.572193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.572193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.572193 (E_RNA)
where:
Base-Base interactions energy: -147.978
where: short stacking energy: -82.758
Base-Backbone interact. energy: -0.001
local terms energy: -88.593175
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -217.723015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.723015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.723015 (E_RNA)
where:
Base-Base interactions energy: -136.395
where: short stacking energy: -77.143
Base-Backbone interact. energy: -0.010
local terms energy: -81.317860
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -13.145
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: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -216.161763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.161763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.161763 (E_RNA)
where:
Base-Base interactions energy: -137.989
where: short stacking energy: -74.084
Base-Backbone interact. energy: -0.023
local terms energy: -78.149920
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -24.246
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: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -198.279094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.279094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.279094 (E_RNA)
where:
Base-Base interactions energy: -120.842
where: short stacking energy: -57.132
Base-Backbone interact. energy: 0.699
local terms energy: -78.136424
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -18.929
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: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -186.260156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.260156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.260156 (E_RNA)
where:
Base-Base interactions energy: -121.954
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.219
local terms energy: -64.086586
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -13.322
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: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -187.756549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.756549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.756549 (E_RNA)
where:
Base-Base interactions energy: -119.551
where: short stacking energy: -57.881
Base-Backbone interact. energy: -0.017
local terms energy: -68.188622
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -12.822
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: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -100.785798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.785798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.785798 (E_RNA)
where:
Base-Base interactions energy: -41.498
where: short stacking energy: -36.928
Base-Backbone interact. energy: -0.343
local terms energy: -58.945080
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -5.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -100.774562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.774562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.774562 (E_RNA)
where:
Base-Base interactions energy: -41.529
where: short stacking energy: -34.772
Base-Backbone interact. energy: 0.723
local terms energy: -59.968835
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -87.578934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.578934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.578934 (E_RNA)
where:
Base-Base interactions energy: -32.582
where: short stacking energy: -32.582
Base-Backbone interact. energy: -0.006
local terms energy: -54.990926
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -92.543770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.543770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.543770 (E_RNA)
where:
Base-Base interactions energy: -39.555
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.072
local terms energy: -52.916501
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -228.721049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.721049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.721049 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -79.763
Base-Backbone interact. energy: -0.051
local terms energy: -81.740703
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -211.664127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.664127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.664127 (E_RNA)
where:
Base-Base interactions energy: -138.848
where: short stacking energy: -69.442
Base-Backbone interact. energy: -0.098
local terms energy: -72.717980
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -222.689931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.689931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.689931 (E_RNA)
where:
Base-Base interactions energy: -140.878
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.015
local terms energy: -81.797055
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -190.880704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.880704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.880704 (E_RNA)
where:
Base-Base interactions energy: -123.823
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.134
local terms energy: -66.923512
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -16.807
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: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -175.155602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.155602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.155602 (E_RNA)
where:
Base-Base interactions energy: -111.596
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.075
local terms energy: -63.485260
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -15.836
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: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -183.495900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.495900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.495900 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -59.321
Base-Backbone interact. energy: -0.098
local terms energy: -61.127948
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -9.080
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -12.716
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: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -95.990374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.990374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.990374 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -40.129
Base-Backbone interact. energy: -0.095
local terms energy: -55.767135
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -7.365
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: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -88.734944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.734944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.734944 (E_RNA)
where:
Base-Base interactions energy: -35.384
where: short stacking energy: -29.230
Base-Backbone interact. energy: 1.908
local terms energy: -55.258924
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -90.986143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.986143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.986143 (E_RNA)
where:
Base-Base interactions energy: -39.853
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.351
local terms energy: -50.782251
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -10.758
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: 7
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -81.830534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.830534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.830534 (E_RNA)
where:
Base-Base interactions energy: -28.375
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.046
local terms energy: -53.409422
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -223.081075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.081075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.081075 (E_RNA)
where:
Base-Base interactions energy: -138.606
where: short stacking energy: -72.569
Base-Backbone interact. energy: -0.341
local terms energy: -84.134485
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -211.385742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.385742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.385742 (E_RNA)
where:
Base-Base interactions energy: -137.489
where: short stacking energy: -72.552
Base-Backbone interact. energy: -0.677
local terms energy: -73.220361
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -18.499
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: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -213.924182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.924182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.924182 (E_RNA)
where:
Base-Base interactions energy: -133.434
where: short stacking energy: -68.024
Base-Backbone interact. energy: -0.229
local terms energy: -80.261321
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -12.607
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: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -209.748254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.748254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.748254 (E_RNA)
where:
Base-Base interactions energy: -139.688
where: short stacking energy: -70.672
Base-Backbone interact. energy: -0.070
local terms energy: -69.990125
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -197.457747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.457747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.457747 (E_RNA)
where:
Base-Base interactions energy: -123.935
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.364
local terms energy: -73.159072
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -180.804410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.804410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.804410 (E_RNA)
where:
Base-Base interactions energy: -111.355
where: short stacking energy: -59.459
Base-Backbone interact. energy: -0.048
local terms energy: -69.401214
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -94.746961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.746961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.746961 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.146
local terms energy: -53.960935
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -101.536400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.536400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.536400 (E_RNA)
where:
Base-Base interactions energy: -50.984
where: short stacking energy: -36.513
Base-Backbone interact. energy: -0.238
local terms energy: -50.314859
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -3.790
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -93.080138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.080138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.080138 (E_RNA)
where:
Base-Base interactions energy: -50.817
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.524
local terms energy: -41.739451
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -7.470
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: 10, replica: 7
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -83.015621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.015621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.015621 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -26.770
Base-Backbone interact. energy: -0.414
local terms energy: -55.166919
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.120
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: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -218.477370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.477370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.477370 (E_RNA)
where:
Base-Base interactions energy: -141.533
where: short stacking energy: -78.530
Base-Backbone interact. energy: -0.103
local terms energy: -76.841100
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -222.756128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.756128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.756128 (E_RNA)
where:
Base-Base interactions energy: -140.678
where: short stacking energy: -76.046
Base-Backbone interact. energy: -0.143
local terms energy: -81.935941
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -216.359251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.359251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.359251 (E_RNA)
where:
Base-Base interactions energy: -135.405
where: short stacking energy: -72.348
Base-Backbone interact. energy: -0.041
local terms energy: -80.913737
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -24.058
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -204.905254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.905254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.905254 (E_RNA)
where:
Base-Base interactions energy: -124.230
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.002
local terms energy: -80.673200
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -18.522
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: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -204.719849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.719849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.719849 (E_RNA)
where:
Base-Base interactions energy: -122.881
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.083
local terms energy: -81.756130
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -186.059435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.059435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.059435 (E_RNA)
where:
Base-Base interactions energy: -114.914
where: short stacking energy: -51.345
Base-Backbone interact. energy: -0.126
local terms energy: -71.020291
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -99.492096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.492096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.492096 (E_RNA)
where:
Base-Base interactions energy: -37.816
where: short stacking energy: -37.272
Base-Backbone interact. energy: -0.756
local terms energy: -60.919869
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -104.691234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.691234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.691234 (E_RNA)
where:
Base-Base interactions energy: -45.035
where: short stacking energy: -36.219
Base-Backbone interact. energy: -0.073
local terms energy: -59.582815
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -11.504
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -82.538761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538761 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -35.405
Base-Backbone interact. energy: -0.199
local terms energy: -46.935425
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -4.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -75.303382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.303382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.303382 (E_RNA)
where:
Base-Base interactions energy: -28.501
where: short stacking energy: -26.959
Base-Backbone interact. energy: -0.029
local terms energy: -46.772895
where:
bonds (distance) C4'-P energy: -7.842
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.777
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)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -223.114477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.114477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.114477 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -80.950
Base-Backbone interact. energy: 0.003
local terms energy: -77.907960
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -21.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -229.028358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.028358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.028358 (E_RNA)
where:
Base-Base interactions energy: -145.690
where: short stacking energy: -87.202
Base-Backbone interact. energy: -0.002
local terms energy: -83.336447
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -24.110
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: 4
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -202.198075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.198075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198075 (E_RNA)
where:
Base-Base interactions energy: -126.621
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.539
local terms energy: -75.037851
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -20.511
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: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -210.627381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.627381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.627381 (E_RNA)
where:
Base-Base interactions energy: -127.607
where: short stacking energy: -61.832
Base-Backbone interact. energy: -0.413
local terms energy: -82.607175
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -202.638013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.638013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.638013 (E_RNA)
where:
Base-Base interactions energy: -129.693
where: short stacking energy: -68.219
Base-Backbone interact. energy: -0.054
local terms energy: -72.891553
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -187.952744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.952744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.952744 (E_RNA)
where:
Base-Base interactions energy: -111.501
where: short stacking energy: -63.892
Base-Backbone interact. energy: -0.343
local terms energy: -76.109079
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -91.198051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.198051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.198051 (E_RNA)
where:
Base-Base interactions energy: -33.086
where: short stacking energy: -33.086
Base-Backbone interact. energy: -0.405
local terms energy: -57.707528
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -7.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -104.077659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.077659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.077659 (E_RNA)
where:
Base-Base interactions energy: -50.046
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.129
local terms energy: -53.903412
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -87.433142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.433142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.433142 (E_RNA)
where:
Base-Base interactions energy: -42.685
where: short stacking energy: -27.993
Base-Backbone interact. energy: -0.211
local terms energy: -44.537474
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: 1.315
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: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -79.860999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.860999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.860999 (E_RNA)
where:
Base-Base interactions energy: -24.447
where: short stacking energy: -26.847
Base-Backbone interact. energy: 1.515
local terms energy: -56.928354
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: 1.059
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: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -232.855250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.855250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.855250 (E_RNA)
where:
Base-Base interactions energy: -148.580
where: short stacking energy: -82.880
Base-Backbone interact. energy: -0.022
local terms energy: -84.253391
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -11.199
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: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -212.519666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519666 (E_RNA)
where:
Base-Base interactions energy: -138.565
where: short stacking energy: -74.590
Base-Backbone interact. energy: -0.075
local terms energy: -73.880233
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -11.273
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: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -210.480833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.480833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.480833 (E_RNA)
where:
Base-Base interactions energy: -131.513
where: short stacking energy: -64.591
Base-Backbone interact. energy: 0.017
local terms energy: -78.985312
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -12.376
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: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -211.552108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.552108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.552108 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.283
local terms energy: -75.776962
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -19.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -200.628779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.628779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.628779 (E_RNA)
where:
Base-Base interactions energy: -124.581
where: short stacking energy: -68.702
Base-Backbone interact. energy: -0.124
local terms energy: -75.923801
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -13.132
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: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -199.525170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.525170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.525170 (E_RNA)
where:
Base-Base interactions energy: -125.652
where: short stacking energy: -72.882
Base-Backbone interact. energy: -0.029
local terms energy: -73.844150
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -10.888
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -100.656029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.656029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.656029 (E_RNA)
where:
Base-Base interactions energy: -48.655
where: short stacking energy: -35.489
Base-Backbone interact. energy: -0.555
local terms energy: -51.445754
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -8.083
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: 96
Temperature: 1.250000
Total energy: -84.147044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.147044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.147044 (E_RNA)
where:
Base-Base interactions energy: -32.968
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.160
local terms energy: -51.019647
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -8.858
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: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -84.328639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.328639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.328639 (E_RNA)
where:
Base-Base interactions energy: -39.632
where: short stacking energy: -39.632
Base-Backbone interact. energy: -0.002
local terms energy: -44.694794
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -7.074
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -87.423073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.423073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.423073 (E_RNA)
where:
Base-Base interactions energy: -42.116
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.085
local terms energy: -45.221488
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -233.164148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.164148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.164148 (E_RNA)
where:
Base-Base interactions energy: -145.712
where: short stacking energy: -84.824
Base-Backbone interact. energy: -0.042
local terms energy: -87.410667
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -224.955080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.955080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.955080 (E_RNA)
where:
Base-Base interactions energy: -143.080
where: short stacking energy: -77.144
Base-Backbone interact. energy: -0.061
local terms energy: -81.814836
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -10.338
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: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -192.529317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.529317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.529317 (E_RNA)
where:
Base-Base interactions energy: -110.547
where: short stacking energy: -65.931
Base-Backbone interact. energy: -0.011
local terms energy: -81.971554
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -10.142
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: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -212.110283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.110283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.110283 (E_RNA)
where:
Base-Base interactions energy: -136.128
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.124
local terms energy: -75.858448
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -12.008
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: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -190.579484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.579484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.579484 (E_RNA)
where:
Base-Base interactions energy: -113.550
where: short stacking energy: -63.917
Base-Backbone interact. energy: 0.223
local terms energy: -77.251911
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -165.046561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.046561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.046561 (E_RNA)
where:
Base-Base interactions energy: -107.519
where: short stacking energy: -54.084
Base-Backbone interact. energy: -0.146
local terms energy: -57.382039
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -7.872
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: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -100.759559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.759559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.759559 (E_RNA)
where:
Base-Base interactions energy: -40.197
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.037
local terms energy: -60.525197
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -99.605417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.605417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.605417 (E_RNA)
where:
Base-Base interactions energy: -38.305
where: short stacking energy: -34.183
Base-Backbone interact. energy: -0.040
local terms energy: -61.260518
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -2.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -94.956165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.956165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.956165 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -29.166
Base-Backbone interact. energy: -0.007
local terms energy: -54.590027
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -1.823
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -81.884875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.884875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.884875 (E_RNA)
where:
Base-Base interactions energy: -24.510
where: short stacking energy: -20.646
Base-Backbone interact. energy: -1.322
local terms energy: -56.052892
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -230.618595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.618595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.618595 (E_RNA)
where:
Base-Base interactions energy: -141.049
where: short stacking energy: -79.615
Base-Backbone interact. energy: -0.001
local terms energy: -89.568326
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -18.535
flat angles P-C4'-P energy: -13.339
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: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -213.697886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.697886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.697886 (E_RNA)
where:
Base-Base interactions energy: -134.853
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.196
local terms energy: -78.649367
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -208.401773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.401773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.401773 (E_RNA)
where:
Base-Base interactions energy: -126.518
where: short stacking energy: -74.245
Base-Backbone interact. energy: -0.292
local terms energy: -81.591644
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -20.576
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: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -183.055366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.055366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.055366 (E_RNA)
where:
Base-Base interactions energy: -114.963
where: short stacking energy: -57.323
Base-Backbone interact. energy: 0.901
local terms energy: -68.992893
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -199.246181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.246181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.246181 (E_RNA)
where:
Base-Base interactions energy: -130.740
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.198
local terms energy: -68.307812
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -166.575691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.575691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.575691 (E_RNA)
where:
Base-Base interactions energy: -101.829
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.753
local terms energy: -63.992914
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -12.531
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: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -95.862213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.862213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.862213 (E_RNA)
where:
Base-Base interactions energy: -32.858
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.240
local terms energy: -62.764148
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -91.191139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.191139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.191139 (E_RNA)
where:
Base-Base interactions energy: -35.436
where: short stacking energy: -35.436
Base-Backbone interact. energy: -0.082
local terms energy: -55.673082
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -6.724
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -84.751938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.751938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.751938 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -29.339
Base-Backbone interact. energy: 0.086
local terms energy: -53.828322
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -91.579386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.579386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.579386 (E_RNA)
where:
Base-Base interactions energy: -36.381
where: short stacking energy: -34.888
Base-Backbone interact. energy: -0.084
local terms energy: -55.114300
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -229.676003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.676003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.676003 (E_RNA)
where:
Base-Base interactions energy: -149.530
where: short stacking energy: -82.244
Base-Backbone interact. energy: 1.440
local terms energy: -81.586473
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -12.247
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: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -226.698426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.698426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.698426 (E_RNA)
where:
Base-Base interactions energy: -143.017
where: short stacking energy: -79.251
Base-Backbone interact. energy: -0.100
local terms energy: -83.581582
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -22.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -205.740397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.740397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.740397 (E_RNA)
where:
Base-Base interactions energy: -133.821
where: short stacking energy: -68.341
Base-Backbone interact. energy: -0.101
local terms energy: -71.818223
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -17.160
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: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -197.467137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.467137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.467137 (E_RNA)
where:
Base-Base interactions energy: -130.319
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.242
local terms energy: -66.906051
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -13.516
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -17.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -194.698990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.698990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.698990 (E_RNA)
where:
Base-Base interactions energy: -125.575
where: short stacking energy: -65.935
Base-Backbone interact. energy: -0.090
local terms energy: -69.034391
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -11.896
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: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -158.085027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.085027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.085027 (E_RNA)
where:
Base-Base interactions energy: -91.893
where: short stacking energy: -44.327
Base-Backbone interact. energy: -0.235
local terms energy: -65.957106
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -10.511
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: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -93.488035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.488035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.488035 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.250
local terms energy: -59.813243
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -5.944
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: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -88.750279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.750279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.750279 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -27.493
Base-Backbone interact. energy: -0.078
local terms energy: -57.843008
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -81.036657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.036657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.036657 (E_RNA)
where:
Base-Base interactions energy: -27.556
where: short stacking energy: -27.556
Base-Backbone interact. energy: -0.009
local terms energy: -53.471752
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -82.533993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.533993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.533993 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -26.659
Base-Backbone interact. energy: -0.270
local terms energy: -54.417161
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -228.695780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.695780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.695780 (E_RNA)
where:
Base-Base interactions energy: -146.576
where: short stacking energy: -84.981
Base-Backbone interact. energy: -0.050
local terms energy: -82.070380
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -13.582
tors. eta vs tors. theta energy: -21.915
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: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -226.570109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.570109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.570109 (E_RNA)
where:
Base-Base interactions energy: -144.331
where: short stacking energy: -77.614
Base-Backbone interact. energy: -0.008
local terms energy: -82.231151
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -23.149
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: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -209.206980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.206980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.206980 (E_RNA)
where:
Base-Base interactions energy: -137.457
where: short stacking energy: -66.731
Base-Backbone interact. energy: -0.080
local terms energy: -71.670342
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -210.680550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.680550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.680550 (E_RNA)
where:
Base-Base interactions energy: -128.660
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.101
local terms energy: -81.919939
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -201.161159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.161159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.161159 (E_RNA)
where:
Base-Base interactions energy: -127.006
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.085
local terms energy: -74.070028
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -19.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -171.158343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.158343 (E_RNA)
where:
Base-Base interactions energy: -106.078
where: short stacking energy: -49.583
Base-Backbone interact. energy: -1.136
local terms energy: -63.944266
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -99.789837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.789837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.789837 (E_RNA)
where:
Base-Base interactions energy: -48.094
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.152
local terms energy: -51.543698
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -117.973302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.973302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.973302 (E_RNA)
where:
Base-Base interactions energy: -65.260
where: short stacking energy: -40.315
Base-Backbone interact. energy: 0.010
local terms energy: -52.723435
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -82.268185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.268185 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -23.437
Base-Backbone interact. energy: -0.179
local terms energy: -51.104642
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: 1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -96.463655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.463655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.463655 (E_RNA)
where:
Base-Base interactions energy: -41.318
where: short stacking energy: -41.318
Base-Backbone interact. energy: 0.011
local terms energy: -55.156289
where:
bonds (distance) C4'-P energy: -7.398
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -11.389
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: 1, replica: 3
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -227.576915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.576915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.576915 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -80.848
Base-Backbone interact. energy: -0.014
local terms energy: -81.618734
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -212.069662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.069662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.069662 (E_RNA)
where:
Base-Base interactions energy: -136.246
where: short stacking energy: -67.480
Base-Backbone interact. energy: -0.009
local terms energy: -75.814879
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -230.328037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.328037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.328037 (E_RNA)
where:
Base-Base interactions energy: -149.427
where: short stacking energy: -83.341
Base-Backbone interact. energy: -0.001
local terms energy: -80.900273
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -206.645341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.645341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.645341 (E_RNA)
where:
Base-Base interactions energy: -138.479
where: short stacking energy: -76.574
Base-Backbone interact. energy: -0.005
local terms energy: -68.161490
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -196.545547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.545547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.545547 (E_RNA)
where:
Base-Base interactions energy: -127.404
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.089
local terms energy: -69.052492
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -174.298984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.298984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.298984 (E_RNA)
where:
Base-Base interactions energy: -106.237
where: short stacking energy: -59.163
Base-Backbone interact. energy: 1.424
local terms energy: -69.485299
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.880
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: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -95.071769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.071769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.071769 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -36.873
Base-Backbone interact. energy: -0.065
local terms energy: -58.133584
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -4.122
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -97.912011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.912011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.912011 (E_RNA)
where:
Base-Base interactions energy: -50.413
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.223
local terms energy: -47.275674
where:
bonds (distance) C4'-P energy: -9.464
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -89.541268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.541268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.541268 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -35.661
Base-Backbone interact. energy: -0.074
local terms energy: -53.132834
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -81.845602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.845602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.845602 (E_RNA)
where:
Base-Base interactions energy: -33.724
where: short stacking energy: -20.136
Base-Backbone interact. energy: 1.160
local terms energy: -49.281827
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.639
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: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -224.205302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.205302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.205302 (E_RNA)
where:
Base-Base interactions energy: -142.409
where: short stacking energy: -71.877
Base-Backbone interact. energy: -0.002
local terms energy: -81.793915
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -220.995370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.995370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.995370 (E_RNA)
where:
Base-Base interactions energy: -142.648
where: short stacking energy: -79.991
Base-Backbone interact. energy: -0.019
local terms energy: -78.328549
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -23.705
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: 102
Temperature: 1.000000
Total energy: -222.512183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.512183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.512183 (E_RNA)
where:
Base-Base interactions energy: -142.978
where: short stacking energy: -69.616
Base-Backbone interact. energy: -0.072
local terms energy: -79.462278
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.496
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: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -217.679414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.679414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.679414 (E_RNA)
where:
Base-Base interactions energy: -142.233
where: short stacking energy: -72.072
Base-Backbone interact. energy: -0.174
local terms energy: -75.272757
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -20.288
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -213.131703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.131703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.131703 (E_RNA)
where:
Base-Base interactions energy: -135.316
where: short stacking energy: -71.422
Base-Backbone interact. energy: -0.017
local terms energy: -77.797901
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -170.969259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.969259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.969259 (E_RNA)
where:
Base-Base interactions energy: -103.368
where: short stacking energy: -53.179
Base-Backbone interact. energy: 0.305
local terms energy: -67.905793
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -106.896799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.896799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.896799 (E_RNA)
where:
Base-Base interactions energy: -41.847
where: short stacking energy: -41.847
Base-Backbone interact. energy: -0.045
local terms energy: -65.004125
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -12.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -86.175515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.175515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.175515 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -35.008
Base-Backbone interact. energy: -0.008
local terms energy: -51.159717
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -7.206
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -104.514182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.514182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.514182 (E_RNA)
where:
Base-Base interactions energy: -31.535
where: short stacking energy: -31.535
Base-Backbone interact. energy: -0.154
local terms energy: -72.825630
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -10.236
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: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -83.888097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.888097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.888097 (E_RNA)
where:
Base-Base interactions energy: -28.407
where: short stacking energy: -28.407
Base-Backbone interact. energy: -0.975
local terms energy: -54.505643
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -2.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -223.166366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.166366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.166366 (E_RNA)
where:
Base-Base interactions energy: -142.679
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.013
local terms energy: -80.474625
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -11.915
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: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -225.177346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.177346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.177346 (E_RNA)
where:
Base-Base interactions energy: -141.323
where: short stacking energy: -74.458
Base-Backbone interact. energy: -0.608
local terms energy: -83.245904
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -22.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -228.082848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.082848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.082848 (E_RNA)
where:
Base-Base interactions energy: -145.522
where: short stacking energy: -82.896
Base-Backbone interact. energy: -0.001
local terms energy: -82.560063
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -22.396
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: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -218.835486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.835486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.835486 (E_RNA)
where:
Base-Base interactions energy: -140.618
where: short stacking energy: -75.081
Base-Backbone interact. energy: -0.102
local terms energy: -78.115769
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -21.731
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: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -194.235780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.235780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.235780 (E_RNA)
where:
Base-Base interactions energy: -120.038
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.001
local terms energy: -74.196170
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -12.153
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: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -178.045340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.045340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.045340 (E_RNA)
where:
Base-Base interactions energy: -100.172
where: short stacking energy: -46.205
Base-Backbone interact. energy: -0.105
local terms energy: -77.767781
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -102.817549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.817549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.817549 (E_RNA)
where:
Base-Base interactions energy: -40.491
where: short stacking energy: -40.491
Base-Backbone interact. energy: 0.342
local terms energy: -62.669256
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -81.195534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.195534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.195534 (E_RNA)
where:
Base-Base interactions energy: -28.960
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.427
local terms energy: -51.808467
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -104.456519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.456519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.456519 (E_RNA)
where:
Base-Base interactions energy: -50.586
where: short stacking energy: -39.579
Base-Backbone interact. energy: -0.089
local terms energy: -53.781486
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -111.100822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.100822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.100822 (E_RNA)
where:
Base-Base interactions energy: -58.792
where: short stacking energy: -42.587
Base-Backbone interact. energy: 0.696
local terms energy: -53.004547
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -223.517328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.517328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.517328 (E_RNA)
where:
Base-Base interactions energy: -139.780
where: short stacking energy: -76.935
Base-Backbone interact. energy: -0.001
local terms energy: -83.736903
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -234.790829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.790829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.790829 (E_RNA)
where:
Base-Base interactions energy: -148.453
where: short stacking energy: -77.739
Base-Backbone interact. energy: -0.000
local terms energy: -86.337960
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -23.596
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: 6
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -226.513866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.513866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.513866 (E_RNA)
where:
Base-Base interactions energy: -145.904
where: short stacking energy: -79.759
Base-Backbone interact. energy: -0.099
local terms energy: -80.510609
where:
bonds (distance) C4'-P energy: -9.312
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -23.247
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: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -212.327781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.327781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.327781 (E_RNA)
where:
Base-Base interactions energy: -137.337
where: short stacking energy: -67.140
Base-Backbone interact. energy: 0.579
local terms energy: -75.569933
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -9.937
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: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -200.807435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.807435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.807435 (E_RNA)
where:
Base-Base interactions energy: -124.927
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.280
local terms energy: -75.600757
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -169.797296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.797296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.797296 (E_RNA)
where:
Base-Base interactions energy: -99.265
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.342
local terms energy: -70.190791
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -111.796857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.796857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.796857 (E_RNA)
where:
Base-Base interactions energy: -59.668
where: short stacking energy: -38.607
Base-Backbone interact. energy: 0.890
local terms energy: -53.018704
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -93.812015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.812015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.812015 (E_RNA)
where:
Base-Base interactions energy: -37.955
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.161
local terms energy: -55.695770
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -87.125344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125344 (E_RNA)
where:
Base-Base interactions energy: -37.348
where: short stacking energy: -37.348
Base-Backbone interact. energy: 0.077
local terms energy: -49.854058
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -113.487546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.487546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.487546 (E_RNA)
where:
Base-Base interactions energy: -58.428
where: short stacking energy: -36.274
Base-Backbone interact. energy: -0.162
local terms energy: -54.896715
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -231.875116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.875116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.875116 (E_RNA)
where:
Base-Base interactions energy: -149.923
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.005
local terms energy: -81.947070
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -23.503
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: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -225.039392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.039392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.039392 (E_RNA)
where:
Base-Base interactions energy: -144.730
where: short stacking energy: -78.331
Base-Backbone interact. energy: -0.009
local terms energy: -80.300759
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -10.149
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: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -211.680326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.680326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.680326 (E_RNA)
where:
Base-Base interactions energy: -135.036
where: short stacking energy: -72.457
Base-Backbone interact. energy: -0.037
local terms energy: -76.606531
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -194.506822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.506822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.506822 (E_RNA)
where:
Base-Base interactions energy: -125.537
where: short stacking energy: -64.086
Base-Backbone interact. energy: -0.293
local terms energy: -68.677413
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -203.840914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.840914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.840914 (E_RNA)
where:
Base-Base interactions energy: -125.672
where: short stacking energy: -70.009
Base-Backbone interact. energy: -0.191
local terms energy: -77.977771
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -182.247692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.247692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.247692 (E_RNA)
where:
Base-Base interactions energy: -115.670
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.017
local terms energy: -66.560497
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.070
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: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -121.736551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.736551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.736551 (E_RNA)
where:
Base-Base interactions energy: -62.376
where: short stacking energy: -46.458
Base-Backbone interact. energy: 1.305
local terms energy: -60.665603
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -9.444
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -11.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -188.578228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.578228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.578228 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.013
local terms energy: -73.215316
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -13.275
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: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -82.824611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.824611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.824611 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -30.673
Base-Backbone interact. energy: 3.538
local terms energy: -55.690212
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -113.645701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.645701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.645701 (E_RNA)
where:
Base-Base interactions energy: -58.249
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.270
local terms energy: -55.127170
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -229.821365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.821365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.821365 (E_RNA)
where:
Base-Base interactions energy: -142.526
where: short stacking energy: -71.789
Base-Backbone interact. energy: -0.005
local terms energy: -87.290014
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -229.605017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.605017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.605017 (E_RNA)
where:
Base-Base interactions energy: -140.076
where: short stacking energy: -78.172
Base-Backbone interact. energy: -0.001
local terms energy: -89.528235
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -23.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -217.428335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.428335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.428335 (E_RNA)
where:
Base-Base interactions energy: -134.888
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.318
local terms energy: -82.222164
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -19.247
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: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -221.039378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.039378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.039378 (E_RNA)
where:
Base-Base interactions energy: -142.689
where: short stacking energy: -75.859
Base-Backbone interact. energy: -0.135
local terms energy: -78.215784
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -192.828470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.828470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.828470 (E_RNA)
where:
Base-Base interactions energy: -120.624
where: short stacking energy: -56.342
Base-Backbone interact. energy: -0.004
local terms energy: -72.200401
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -169.502214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.502214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.502214 (E_RNA)
where:
Base-Base interactions energy: -103.955
where: short stacking energy: -50.532
Base-Backbone interact. energy: -0.456
local terms energy: -65.091345
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.599
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: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -205.142788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.142788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.142788 (E_RNA)
where:
Base-Base interactions energy: -129.617
where: short stacking energy: -65.955
Base-Backbone interact. energy: 1.062
local terms energy: -76.588252
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -90.916796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.916796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.916796 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.160
local terms energy: -56.911123
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -6.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -112.767192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.767192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.767192 (E_RNA)
where:
Base-Base interactions energy: -70.760
where: short stacking energy: -38.245
Base-Backbone interact. energy: -0.064
local terms energy: -41.943489
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -6.860
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: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -84.274435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.274435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.274435 (E_RNA)
where:
Base-Base interactions energy: -27.753
where: short stacking energy: -27.753
Base-Backbone interact. energy: -0.315
local terms energy: -56.206068
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -10.013
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: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -226.251831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.251831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.251831 (E_RNA)
where:
Base-Base interactions energy: -144.172
where: short stacking energy: -75.340
Base-Backbone interact. energy: -0.008
local terms energy: -82.071975
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -23.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -221.662421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.662421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.662421 (E_RNA)
where:
Base-Base interactions energy: -143.085
where: short stacking energy: -80.750
Base-Backbone interact. energy: -0.006
local terms energy: -78.571700
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -217.766535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.766535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.766535 (E_RNA)
where:
Base-Base interactions energy: -139.136
where: short stacking energy: -68.688
Base-Backbone interact. energy: -0.002
local terms energy: -78.628251
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -215.862102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.862102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.862102 (E_RNA)
where:
Base-Base interactions energy: -135.110
where: short stacking energy: -75.252
Base-Backbone interact. energy: -0.215
local terms energy: -80.536961
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -23.060
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: 107
Temperature: 1.100000
Total energy: -189.032948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.032948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.032948 (E_RNA)
where:
Base-Base interactions energy: -121.652
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.210
local terms energy: -67.170692
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -4.849
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -142.909720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.909720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.909720 (E_RNA)
where:
Base-Base interactions energy: -80.711
where: short stacking energy: -47.759
Base-Backbone interact. energy: -0.014
local terms energy: -62.184475
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -14.019
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: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -157.875583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.875583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.875583 (E_RNA)
where:
Base-Base interactions energy: -99.849
where: short stacking energy: -45.982
Base-Backbone interact. energy: 1.661
local terms energy: -59.687836
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -128.723889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.723889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.723889 (E_RNA)
where:
Base-Base interactions energy: -68.505
where: short stacking energy: -36.276
Base-Backbone interact. energy: 3.567
local terms energy: -63.785677
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -97.897240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.897240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.897240 (E_RNA)
where:
Base-Base interactions energy: -42.755
where: short stacking energy: -34.065
Base-Backbone interact. energy: 0.154
local terms energy: -55.296797
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -72.156327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.156327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.156327 (E_RNA)
where:
Base-Base interactions energy: -23.853
where: short stacking energy: -23.953
Base-Backbone interact. energy: -0.165
local terms energy: -48.138521
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: 1.807
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: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -224.031123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.031123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.031123 (E_RNA)
where:
Base-Base interactions energy: -136.811
where: short stacking energy: -76.853
Base-Backbone interact. energy: -0.094
local terms energy: -87.125857
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -217.938027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.938027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.938027 (E_RNA)
where:
Base-Base interactions energy: -138.429
where: short stacking energy: -79.310
Base-Backbone interact. energy: -0.058
local terms energy: -79.450637
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -22.737
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: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -209.695001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.695001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.695001 (E_RNA)
where:
Base-Base interactions energy: -129.290
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.020
local terms energy: -80.384966
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -12.726
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: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -203.934103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.934103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.934103 (E_RNA)
where:
Base-Base interactions energy: -131.363
where: short stacking energy: -72.710
Base-Backbone interact. energy: -0.001
local terms energy: -72.569657
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -20.363
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: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -207.353378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.353378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.353378 (E_RNA)
where:
Base-Base interactions energy: -136.458
where: short stacking energy: -74.776
Base-Backbone interact. energy: -0.033
local terms energy: -70.862794
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -101.952735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.952735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.952735 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -34.566
Base-Backbone interact. energy: 0.913
local terms energy: -66.041973
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -176.473947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.473947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.473947 (E_RNA)
where:
Base-Base interactions energy: -111.096
where: short stacking energy: -63.965
Base-Backbone interact. energy: -0.691
local terms energy: -64.686909
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -118.757067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.757067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.757067 (E_RNA)
where:
Base-Base interactions energy: -76.530
where: short stacking energy: -44.553
Base-Backbone interact. energy: -0.497
local terms energy: -41.729892
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -5.524
flat angles P-C4'-P energy: -2.019
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -84.661965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.661965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.661965 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.056
local terms energy: -47.705757
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.775
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: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -81.289312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.289312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.289312 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -28.163
Base-Backbone interact. energy: -0.349
local terms energy: -50.173871
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -9.610
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: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -224.647184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.647184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.647184 (E_RNA)
where:
Base-Base interactions energy: -145.121
where: short stacking energy: -81.775
Base-Backbone interact. energy: -0.088
local terms energy: -79.437613
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -15.150
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -218.298715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.298715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.298715 (E_RNA)
where:
Base-Base interactions energy: -143.838
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.005
local terms energy: -74.454999
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -205.590869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.590869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.590869 (E_RNA)
where:
Base-Base interactions energy: -122.751
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.016
local terms energy: -82.823407
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -12.431
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: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -216.083922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.083922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.083922 (E_RNA)
where:
Base-Base interactions energy: -135.134
where: short stacking energy: -67.462
Base-Backbone interact. energy: -0.658
local terms energy: -80.291982
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -206.602323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.602323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.602323 (E_RNA)
where:
Base-Base interactions energy: -123.364
where: short stacking energy: -71.495
Base-Backbone interact. energy: -0.014
local terms energy: -83.224997
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -24.289
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: 109
Temperature: 1.150000
Total energy: -193.140810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.140810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.140810 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.012
local terms energy: -72.552471
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -8.020
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: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -102.913312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.913312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.913312 (E_RNA)
where:
Base-Base interactions energy: -51.932
where: short stacking energy: -33.281
Base-Backbone interact. energy: 0.596
local terms energy: -51.577040
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -4.216
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: 8, replica: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -88.982617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.982617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.982617 (E_RNA)
where:
Base-Base interactions energy: -32.320
where: short stacking energy: -31.616
Base-Backbone interact. energy: -0.199
local terms energy: -56.464152
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -6.536
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: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -90.998131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.998131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.998131 (E_RNA)
where:
Base-Base interactions energy: -34.376
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.032
local terms energy: -56.589685
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -73.121954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.121954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.121954 (E_RNA)
where:
Base-Base interactions energy: -32.220
where: short stacking energy: -14.662
Base-Backbone interact. energy: -0.085
local terms energy: -40.817025
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: 6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -222.771375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.771375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.771375 (E_RNA)
where:
Base-Base interactions energy: -142.267
where: short stacking energy: -77.682
Base-Backbone interact. energy: 0.076
local terms energy: -80.581054
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -22.697
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: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -215.168133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.168133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.168133 (E_RNA)
where:
Base-Base interactions energy: -141.304
where: short stacking energy: -74.342
Base-Backbone interact. energy: -0.008
local terms energy: -73.855851
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -7.809
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: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -221.421681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.421681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.421681 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.160
local terms energy: -79.669299
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -197.618396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.618396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.618396 (E_RNA)
where:
Base-Base interactions energy: -125.466
where: short stacking energy: -50.490
Base-Backbone interact. energy: -0.153
local terms energy: -71.998954
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -199.142644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.142644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.142644 (E_RNA)
where:
Base-Base interactions energy: -130.241
where: short stacking energy: -72.290
Base-Backbone interact. energy: -0.015
local terms energy: -68.886704
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -177.006097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.006097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.006097 (E_RNA)
where:
Base-Base interactions energy: -115.567
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.020
local terms energy: -61.418929
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -110.385619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.385619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.385619 (E_RNA)
where:
Base-Base interactions energy: -51.284
where: short stacking energy: -51.284
Base-Backbone interact. energy: -0.434
local terms energy: -58.668069
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -11.304
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: 8, replica: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -88.521424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.521424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.521424 (E_RNA)
where:
Base-Base interactions energy: -29.665
where: short stacking energy: -28.759
Base-Backbone interact. energy: -0.768
local terms energy: -58.089115
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -7.691
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: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -85.990870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990870 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -23.397
Base-Backbone interact. energy: -0.090
local terms energy: -47.751041
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -86.763398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.763398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.763398 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -32.439
Base-Backbone interact. energy: 1.232
local terms energy: -55.556225
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -230.436206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.436206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.436206 (E_RNA)
where:
Base-Base interactions energy: -152.532
where: short stacking energy: -83.367
Base-Backbone interact. energy: 0.870
local terms energy: -78.774347
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -215.321215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.321215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321215 (E_RNA)
where:
Base-Base interactions energy: -133.636
where: short stacking energy: -75.624
Base-Backbone interact. energy: -0.405
local terms energy: -81.279910
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -220.032613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.032613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.032613 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -74.748
Base-Backbone interact. energy: -0.021
local terms energy: -82.775512
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -184.483197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.483197 (E_RNA)
where:
Base-Base interactions energy: -110.191
where: short stacking energy: -62.231
Base-Backbone interact. energy: -0.084
local terms energy: -74.208191
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -164.247229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.247229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.247229 (E_RNA)
where:
Base-Base interactions energy: -97.086
where: short stacking energy: -58.920
Base-Backbone interact. energy: 3.228
local terms energy: -70.389193
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -189.742279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.742279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.742279 (E_RNA)
where:
Base-Base interactions energy: -116.549
where: short stacking energy: -65.863
Base-Backbone interact. energy: -0.106
local terms energy: -73.087565
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -114.743872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.743872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.743872 (E_RNA)
where:
Base-Base interactions energy: -57.157
where: short stacking energy: -37.445
Base-Backbone interact. energy: -0.310
local terms energy: -57.276562
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -96.018155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.018155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.018155 (E_RNA)
where:
Base-Base interactions energy: -36.570
where: short stacking energy: -36.570
Base-Backbone interact. energy: -0.191
local terms energy: -59.257708
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -6.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -79.991019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.991019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.991019 (E_RNA)
where:
Base-Base interactions energy: -25.681
where: short stacking energy: -25.613
Base-Backbone interact. energy: -0.295
local terms energy: -54.014610
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -4.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -84.497275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.497275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.497275 (E_RNA)
where:
Base-Base interactions energy: -46.387
where: short stacking energy: -16.536
Base-Backbone interact. energy: -0.057
local terms energy: -38.052393
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -3.662
tors. eta vs tors. theta energy: 4.553
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: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -229.835026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.835026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.835026 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -82.304
Base-Backbone interact. energy: -0.000
local terms energy: -86.032180
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -24.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -204.447756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.447756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.447756 (E_RNA)
where:
Base-Base interactions energy: -128.220
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.123
local terms energy: -76.104424
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -214.820967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.820967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.820967 (E_RNA)
where:
Base-Base interactions energy: -135.311
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.003
local terms energy: -79.506987
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -203.710878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.710878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.710878 (E_RNA)
where:
Base-Base interactions energy: -138.319
where: short stacking energy: -69.192
Base-Backbone interact. energy: -0.274
local terms energy: -65.117383
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -4.969
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: 112
Temperature: 1.100000
Total energy: -190.441679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.441679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.441679 (E_RNA)
where:
Base-Base interactions energy: -121.824
where: short stacking energy: -55.083
Base-Backbone interact. energy: -0.293
local terms energy: -68.324713
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -198.164489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.164489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.164489 (E_RNA)
where:
Base-Base interactions energy: -122.321
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.009
local terms energy: -75.835209
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -103.019820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.019820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.019820 (E_RNA)
where:
Base-Base interactions energy: -42.689
where: short stacking energy: -34.081
Base-Backbone interact. energy: -0.163
local terms energy: -60.167989
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.562
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: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -99.946037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.946037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.946037 (E_RNA)
where:
Base-Base interactions energy: -43.087
where: short stacking energy: -31.840
Base-Backbone interact. energy: -0.045
local terms energy: -56.814223
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -86.564133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.564133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.564133 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -36.035
Base-Backbone interact. energy: -0.038
local terms energy: -45.699856
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -2.489
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: 10, replica: 7
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -76.670413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.670413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.670413 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -28.114
Base-Backbone interact. energy: -0.107
local terms energy: -48.448801
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: 0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -228.279717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.279717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.279717 (E_RNA)
where:
Base-Base interactions energy: -147.457
where: short stacking energy: -83.189
Base-Backbone interact. energy: -0.004
local terms energy: -80.819227
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -217.224034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.224034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.224034 (E_RNA)
where:
Base-Base interactions energy: -139.947
where: short stacking energy: -71.235
Base-Backbone interact. energy: -0.013
local terms energy: -77.264935
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -22.477
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: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -216.774830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.774830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.774830 (E_RNA)
where:
Base-Base interactions energy: -136.645
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.059
local terms energy: -80.070995
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -207.979845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.979845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.979845 (E_RNA)
where:
Base-Base interactions energy: -134.642
where: short stacking energy: -73.105
Base-Backbone interact. energy: -0.057
local terms energy: -73.280908
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -205.140841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140841 (E_RNA)
where:
Base-Base interactions energy: -127.770
where: short stacking energy: -62.330
Base-Backbone interact. energy: -0.569
local terms energy: -76.801416
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -200.818550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.818550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.818550 (E_RNA)
where:
Base-Base interactions energy: -127.899
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.009
local terms energy: -72.910512
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -8.001
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: 7, replica: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -99.761731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.761731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.761731 (E_RNA)
where:
Base-Base interactions energy: -43.492
where: short stacking energy: -43.448
Base-Backbone interact. energy: 0.165
local terms energy: -56.435334
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -104.475846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.475846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.475846 (E_RNA)
where:
Base-Base interactions energy: -49.484
where: short stacking energy: -37.948
Base-Backbone interact. energy: -0.375
local terms energy: -54.616848
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -79.857673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.857673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.857673 (E_RNA)
where:
Base-Base interactions energy: -30.937
where: short stacking energy: -30.203
Base-Backbone interact. energy: -1.391
local terms energy: -47.529514
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -5.598
flat angles P-C4'-P energy: -10.311
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: 10, replica: 7
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -76.063599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.063599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.063599 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -26.556
Base-Backbone interact. energy: 0.772
local terms energy: -48.132414
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -221.718134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.718134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.718134 (E_RNA)
where:
Base-Base interactions energy: -139.104
where: short stacking energy: -79.177
Base-Backbone interact. energy: -0.292
local terms energy: -82.321507
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -25.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -220.352153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.352153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.352153 (E_RNA)
where:
Base-Base interactions energy: -141.101
where: short stacking energy: -77.553
Base-Backbone interact. energy: -0.046
local terms energy: -79.205249
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -226.764582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.764582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.764582 (E_RNA)
where:
Base-Base interactions energy: -144.053
where: short stacking energy: -82.814
Base-Backbone interact. energy: -0.027
local terms energy: -82.684640
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -24.882
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: 5
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -201.789417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.789417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.789417 (E_RNA)
where:
Base-Base interactions energy: -128.321
where: short stacking energy: -73.522
Base-Backbone interact. energy: -0.638
local terms energy: -72.830477
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -9.290
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: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -199.334558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.334558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.334558 (E_RNA)
where:
Base-Base interactions energy: -126.105
where: short stacking energy: -66.785
Base-Backbone interact. energy: 1.920
local terms energy: -75.149937
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -11.945
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -181.469737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.469737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.469737 (E_RNA)
where:
Base-Base interactions energy: -115.187
where: short stacking energy: -64.226
Base-Backbone interact. energy: -0.239
local terms energy: -66.043319
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -98.663993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.663993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.663993 (E_RNA)
where:
Base-Base interactions energy: -36.741
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.158
local terms energy: -61.764938
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -98.065044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.065044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.065044 (E_RNA)
where:
Base-Base interactions energy: -40.646
where: short stacking energy: -24.535
Base-Backbone interact. energy: -0.439
local terms energy: -56.980350
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -7.610
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: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -95.779406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.779406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.779406 (E_RNA)
where:
Base-Base interactions energy: -46.173
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.102
local terms energy: -49.504527
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -9.665
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -88.253987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.253987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.253987 (E_RNA)
where:
Base-Base interactions energy: -30.024
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.294
local terms energy: -57.935941
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -9.727
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: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -227.849281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.849281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.849281 (E_RNA)
where:
Base-Base interactions energy: -145.691
where: short stacking energy: -79.882
Base-Backbone interact. energy: -0.002
local terms energy: -82.156651
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -220.627222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627222 (E_RNA)
where:
Base-Base interactions energy: -142.403
where: short stacking energy: -73.494
Base-Backbone interact. energy: -0.001
local terms energy: -78.223031
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -24.674
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: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -217.096334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.096334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.096334 (E_RNA)
where:
Base-Base interactions energy: -140.077
where: short stacking energy: -72.907
Base-Backbone interact. energy: -0.252
local terms energy: -76.767563
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -9.800
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: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -202.325206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.325206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.325206 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -66.378
Base-Backbone interact. energy: -0.003
local terms energy: -71.986447
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -186.267011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.267011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.267011 (E_RNA)
where:
Base-Base interactions energy: -116.590
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.097
local terms energy: -69.579990
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -17.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -194.255831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.255831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.255831 (E_RNA)
where:
Base-Base interactions energy: -118.619
where: short stacking energy: -59.582
Base-Backbone interact. energy: -0.742
local terms energy: -74.894303
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -16.541
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: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -99.713126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.713126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.713126 (E_RNA)
where:
Base-Base interactions energy: -38.984
where: short stacking energy: -38.984
Base-Backbone interact. energy: -0.178
local terms energy: -60.550467
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -8.455
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -7.056
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: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -92.369467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.369467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.369467 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -38.242
Base-Backbone interact. energy: -0.134
local terms energy: -53.992758
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -90.536483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.536483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.536483 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -30.522
Base-Backbone interact. energy: 0.333
local terms energy: -60.288796
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -86.014720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.014720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.014720 (E_RNA)
where:
Base-Base interactions energy: -36.025
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.026
local terms energy: -49.963698
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -221.641088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.641088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641088 (E_RNA)
where:
Base-Base interactions energy: -139.582
where: short stacking energy: -71.304
Base-Backbone interact. energy: -0.017
local terms energy: -82.042504
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -12.035
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: 2, replica: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -223.475236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.475236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.475236 (E_RNA)
where:
Base-Base interactions energy: -145.142
where: short stacking energy: -78.421
Base-Backbone interact. energy: -0.084
local terms energy: -78.248973
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -208.562450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.562450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.562450 (E_RNA)
where:
Base-Base interactions energy: -128.605
where: short stacking energy: -75.126
Base-Backbone interact. energy: -0.036
local terms energy: -79.921448
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -217.400006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.400006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.400006 (E_RNA)
where:
Base-Base interactions energy: -136.512
where: short stacking energy: -70.868
Base-Backbone interact. energy: -0.008
local terms energy: -80.879832
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -11.614
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: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -207.132501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.132501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.132501 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -74.505
Base-Backbone interact. energy: -0.099
local terms energy: -81.148829
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -22.543
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: 116
Temperature: 1.150000
Total energy: -172.985927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.985927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.985927 (E_RNA)
where:
Base-Base interactions energy: -104.871
where: short stacking energy: -58.090
Base-Backbone interact. energy: 0.566
local terms energy: -68.681392
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -16.977
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: 116
Temperature: 1.200000
Total energy: -97.716072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.716072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.716072 (E_RNA)
where:
Base-Base interactions energy: -41.078
where: short stacking energy: -41.278
Base-Backbone interact. energy: -0.054
local terms energy: -56.583841
where:
bonds (distance) C4'-P energy: -7.173
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -89.199522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.199522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.199522 (E_RNA)
where:
Base-Base interactions energy: -35.302
where: short stacking energy: -35.302
Base-Backbone interact. energy: -0.068
local terms energy: -53.829548
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -3.168
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: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -84.882078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.882078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.882078 (E_RNA)
where:
Base-Base interactions energy: -25.946
where: short stacking energy: -25.946
Base-Backbone interact. energy: -0.012
local terms energy: -58.924507
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -3.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -96.968684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968684 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -38.773
Base-Backbone interact. energy: -0.129
local terms energy: -49.613619
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -3.479
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: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -230.136983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.136983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.136983 (E_RNA)
where:
Base-Base interactions energy: -148.116
where: short stacking energy: -85.307
Base-Backbone interact. energy: -0.002
local terms energy: -82.018656
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.516
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: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -214.416183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.416183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.416183 (E_RNA)
where:
Base-Base interactions energy: -133.226
where: short stacking energy: -65.514
Base-Backbone interact. energy: 0.235
local terms energy: -81.424848
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -214.941517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.941517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.941517 (E_RNA)
where:
Base-Base interactions energy: -140.136
where: short stacking energy: -76.979
Base-Backbone interact. energy: -0.008
local terms energy: -74.797465
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -10.712
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: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -201.231782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.231782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.231782 (E_RNA)
where:
Base-Base interactions energy: -130.619
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.375
local terms energy: -70.238089
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -191.875915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.875915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.875915 (E_RNA)
where:
Base-Base interactions energy: -122.704
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.001
local terms energy: -69.170756
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.958
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: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -173.210431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.210431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.210431 (E_RNA)
where:
Base-Base interactions energy: -104.523
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.318
local terms energy: -68.369459
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -116.707847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.707847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.707847 (E_RNA)
where:
Base-Base interactions energy: -53.241
where: short stacking energy: -53.241
Base-Backbone interact. energy: 0.325
local terms energy: -63.791502
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -11.289
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: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -89.628895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.628895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.628895 (E_RNA)
where:
Base-Base interactions energy: -33.047
where: short stacking energy: -33.047
Base-Backbone interact. energy: -0.171
local terms energy: -56.411291
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -98.337481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.337481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.337481 (E_RNA)
where:
Base-Base interactions energy: -39.696
where: short stacking energy: -35.162
Base-Backbone interact. energy: -0.128
local terms energy: -58.512893
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -11.893
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: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -75.773108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.773108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.773108 (E_RNA)
where:
Base-Base interactions energy: -24.134
where: short stacking energy: -24.134
Base-Backbone interact. energy: -0.096
local terms energy: -51.543477
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -8.584
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: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -225.097443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.097443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.097443 (E_RNA)
where:
Base-Base interactions energy: -142.150
where: short stacking energy: -78.152
Base-Backbone interact. energy: -0.047
local terms energy: -82.900355
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -24.041
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: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -229.305196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.305196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.305196 (E_RNA)
where:
Base-Base interactions energy: -147.508
where: short stacking energy: -81.661
Base-Backbone interact. energy: -0.065
local terms energy: -81.731908
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -217.905378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.905378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.905378 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -74.727
Base-Backbone interact. energy: -0.015
local terms energy: -81.706215
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -23.433
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -204.758184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.758184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.758184 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -66.574
Base-Backbone interact. energy: -0.049
local terms energy: -76.190617
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -180.455351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.455351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.455351 (E_RNA)
where:
Base-Base interactions energy: -112.617
where: short stacking energy: -50.509
Base-Backbone interact. energy: -0.012
local terms energy: -67.826695
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -193.062325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.062325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.062325 (E_RNA)
where:
Base-Base interactions energy: -120.864
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.268
local terms energy: -71.930744
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -16.441
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: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -95.929809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.929809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.929809 (E_RNA)
where:
Base-Base interactions energy: -42.572
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.142
local terms energy: -53.216349
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -6.677
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: 118
Temperature: 1.250000
Total energy: -92.485512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.485512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.485512 (E_RNA)
where:
Base-Base interactions energy: -38.304
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.111
local terms energy: -54.070616
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -106.415844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.415844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.415844 (E_RNA)
where:
Base-Base interactions energy: -51.713
where: short stacking energy: -44.592
Base-Backbone interact. energy: -0.226
local terms energy: -54.477133
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -6.057
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -3.026
tors. eta vs tors. theta energy: -12.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -87.245917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.245917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.245917 (E_RNA)
where:
Base-Base interactions energy: -34.844
where: short stacking energy: -34.844
Base-Backbone interact. energy: -0.069
local terms energy: -52.332759
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -224.465159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.465159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.465159 (E_RNA)
where:
Base-Base interactions energy: -143.286
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.043
local terms energy: -81.136223
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -20.314
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: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -220.120118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.120118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.120118 (E_RNA)
where:
Base-Base interactions energy: -144.771
where: short stacking energy: -77.841
Base-Backbone interact. energy: -0.001
local terms energy: -75.347700
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.947
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: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -227.732185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.732185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.732185 (E_RNA)
where:
Base-Base interactions energy: -146.286
where: short stacking energy: -77.850
Base-Backbone interact. energy: -0.003
local terms energy: -81.444076
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -24.790
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: 5
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -190.096919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.096919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.096919 (E_RNA)
where:
Base-Base interactions energy: -114.813
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.074
local terms energy: -75.209816
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -195.243032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.243032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.243032 (E_RNA)
where:
Base-Base interactions energy: -122.699
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.012
local terms energy: -72.532295
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.940
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: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -196.151015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.151015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.151015 (E_RNA)
where:
Base-Base interactions energy: -125.351
where: short stacking energy: -61.896
Base-Backbone interact. energy: -0.103
local terms energy: -70.697489
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -107.813471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.813471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.813471 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -39.274
Base-Backbone interact. energy: -0.161
local terms energy: -66.619172
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -100.614210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.614210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.614210 (E_RNA)
where:
Base-Base interactions energy: -36.574
where: short stacking energy: -36.175
Base-Backbone interact. energy: -0.763
local terms energy: -63.276958
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -17.149
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -84.673170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.673170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.673170 (E_RNA)
where:
Base-Base interactions energy: -26.309
where: short stacking energy: -26.309
Base-Backbone interact. energy: -0.004
local terms energy: -58.360081
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -77.904054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904054 (E_RNA)
where:
Base-Base interactions energy: -23.717
where: short stacking energy: -23.066
Base-Backbone interact. energy: -0.125
local terms energy: -54.062096
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -226.269835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.269835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.269835 (E_RNA)
where:
Base-Base interactions energy: -141.701
where: short stacking energy: -74.586
Base-Backbone interact. energy: -0.341
local terms energy: -84.228597
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -207.652870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.652870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.652870 (E_RNA)
where:
Base-Base interactions energy: -129.632
where: short stacking energy: -61.326
Base-Backbone interact. energy: -0.002
local terms energy: -78.018586
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -11.852
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: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -211.167781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.167781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.167781 (E_RNA)
where:
Base-Base interactions energy: -133.420
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.047
local terms energy: -77.700554
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -9.385
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: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -218.192316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.192316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.192316 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -74.479
Base-Backbone interact. energy: -0.001
local terms energy: -85.417330
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -25.171
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: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -206.054268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.054268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.054268 (E_RNA)
where:
Base-Base interactions energy: -127.821
where: short stacking energy: -69.460
Base-Backbone interact. energy: -0.000
local terms energy: -78.232947
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -10.846
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: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -159.936814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.936814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.936814 (E_RNA)
where:
Base-Base interactions energy: -103.251
where: short stacking energy: -46.990
Base-Backbone interact. energy: -0.220
local terms energy: -56.466241
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.014
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: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -97.960100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.960100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.960100 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -26.859
Base-Backbone interact. energy: 1.799
local terms energy: -61.080024
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -6.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -95.455087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.455087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.455087 (E_RNA)
where:
Base-Base interactions energy: -37.842
where: short stacking energy: -37.842
Base-Backbone interact. energy: 1.228
local terms energy: -58.841242
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -8.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -84.158166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.158166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.158166 (E_RNA)
where:
Base-Base interactions energy: -34.642
where: short stacking energy: -34.642
Base-Backbone interact. energy: -0.036
local terms energy: -49.480151
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -74.941614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.941614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.941614 (E_RNA)
where:
Base-Base interactions energy: -33.685
where: short stacking energy: -20.701
Base-Backbone interact. energy: 4.112
local terms energy: -45.368284
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -10.056
flat angles P-C4'-P energy: -8.880
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: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -228.240729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.240729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.240729 (E_RNA)
where:
Base-Base interactions energy: -146.994
where: short stacking energy: -81.346
Base-Backbone interact. energy: -0.006
local terms energy: -81.240436
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -22.531
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: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -198.575787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.575787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.575787 (E_RNA)
where:
Base-Base interactions energy: -129.054
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.041
local terms energy: -69.480324
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -10.691
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: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -216.983452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.983452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.983452 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -81.439
Base-Backbone interact. energy: -0.389
local terms energy: -76.970681
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -206.038025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.038025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.038025 (E_RNA)
where:
Base-Base interactions energy: -131.385
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.025
local terms energy: -74.628101
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -13.747
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: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -193.470255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.470255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.470255 (E_RNA)
where:
Base-Base interactions energy: -118.567
where: short stacking energy: -51.583
Base-Backbone interact. energy: -0.040
local terms energy: -74.863270
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -169.686229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.686229 (E_RNA)
where:
Base-Base interactions energy: -108.625
where: short stacking energy: -58.033
Base-Backbone interact. energy: 0.468
local terms energy: -61.529036
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -99.826457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.826457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.826457 (E_RNA)
where:
Base-Base interactions energy: -40.026
where: short stacking energy: -35.318
Base-Backbone interact. energy: -0.216
local terms energy: -59.585322
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -86.893492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.893492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.893492 (E_RNA)
where:
Base-Base interactions energy: -37.506
where: short stacking energy: -37.174
Base-Backbone interact. energy: 0.622
local terms energy: -50.009565
where:
bonds (distance) C4'-P energy: -6.898
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -3.641
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: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -87.626432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.626432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.626432 (E_RNA)
where:
Base-Base interactions energy: -35.097
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.274
local terms energy: -52.255747
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -79.102088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.102088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.102088 (E_RNA)
where:
Base-Base interactions energy: -27.288
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.129
local terms energy: -51.685655
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -227.013399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.013399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.013399 (E_RNA)
where:
Base-Base interactions energy: -140.881
where: short stacking energy: -81.666
Base-Backbone interact. energy: -0.000
local terms energy: -86.132075
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -188.457622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.457622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.457622 (E_RNA)
where:
Base-Base interactions energy: -109.848
where: short stacking energy: -52.836
Base-Backbone interact. energy: -0.203
local terms energy: -78.406571
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -217.745500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.745500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.745500 (E_RNA)
where:
Base-Base interactions energy: -135.691
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.000
local terms energy: -82.053837
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -14.448
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: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -199.935881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.935881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.935881 (E_RNA)
where:
Base-Base interactions energy: -127.114
where: short stacking energy: -64.234
Base-Backbone interact. energy: -0.538
local terms energy: -72.284062
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -8.061
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: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -196.954677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.954677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.954677 (E_RNA)
where:
Base-Base interactions energy: -126.951
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.105
local terms energy: -69.898497
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -167.019326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.019326 (E_RNA)
where:
Base-Base interactions energy: -102.283
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.222
local terms energy: -64.514958
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -109.011279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.011279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.011279 (E_RNA)
where:
Base-Base interactions energy: -51.308
where: short stacking energy: -38.945
Base-Backbone interact. energy: -0.124
local terms energy: -57.578715
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -12.716
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: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -99.453406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.453406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.453406 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -36.168
Base-Backbone interact. energy: -0.006
local terms energy: -63.279368
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -85.472984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.472984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.472984 (E_RNA)
where:
Base-Base interactions energy: -30.955
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.179
local terms energy: -54.338641
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -75.564090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.564090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.564090 (E_RNA)
where:
Base-Base interactions energy: -25.385
where: short stacking energy: -25.385
Base-Backbone interact. energy: -0.105
local terms energy: -50.074021
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -225.661436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.661436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.661436 (E_RNA)
where:
Base-Base interactions energy: -141.141
where: short stacking energy: -80.837
Base-Backbone interact. energy: -0.001
local terms energy: -84.519991
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -217.799395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.799395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.799395 (E_RNA)
where:
Base-Base interactions energy: -139.148
where: short stacking energy: -73.960
Base-Backbone interact. energy: -0.025
local terms energy: -78.627079
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -212.354819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.354819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.354819 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -68.598
Base-Backbone interact. energy: -0.088
local terms energy: -81.328979
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -15.801
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: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -199.782842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.782842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.782842 (E_RNA)
where:
Base-Base interactions energy: -122.001
where: short stacking energy: -58.770
Base-Backbone interact. energy: -0.461
local terms energy: -77.321072
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -17.523
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: 3
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -206.734969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.734969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.734969 (E_RNA)
where:
Base-Base interactions energy: -133.433
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.107
local terms energy: -73.194639
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -7.760
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -133.462716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.462716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.462716 (E_RNA)
where:
Base-Base interactions energy: -80.147
where: short stacking energy: -30.611
Base-Backbone interact. energy: -0.202
local terms energy: -53.113764
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -7.508
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: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -105.411817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.411817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.411817 (E_RNA)
where:
Base-Base interactions energy: -41.689
where: short stacking energy: -41.940
Base-Backbone interact. energy: -0.317
local terms energy: -63.405406
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -95.356993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.356993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.356993 (E_RNA)
where:
Base-Base interactions energy: -37.884
where: short stacking energy: -38.584
Base-Backbone interact. energy: -0.206
local terms energy: -57.267371
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -8.346
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: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -82.186729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186729 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -26.080
Base-Backbone interact. energy: -0.097
local terms energy: -53.340556
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -7.434
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: 123
Temperature: 1.350000
Total energy: -80.190506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.190506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.190506 (E_RNA)
where:
Base-Base interactions energy: -27.617
where: short stacking energy: -27.617
Base-Backbone interact. energy: -0.036
local terms energy: -52.537853
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -226.610122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.610122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.610122 (E_RNA)
where:
Base-Base interactions energy: -142.043
where: short stacking energy: -77.836
Base-Backbone interact. energy: -0.002
local terms energy: -84.564828
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -14.243
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: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -219.365462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.365462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.365462 (E_RNA)
where:
Base-Base interactions energy: -137.775
where: short stacking energy: -75.541
Base-Backbone interact. energy: -0.017
local terms energy: -81.573304
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -232.524649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.524649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.524649 (E_RNA)
where:
Base-Base interactions energy: -150.572
where: short stacking energy: -83.565
Base-Backbone interact. energy: -0.018
local terms energy: -81.934322
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -191.200239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.200239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.200239 (E_RNA)
where:
Base-Base interactions energy: -119.513
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.052
local terms energy: -71.635596
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -211.925043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.925043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.925043 (E_RNA)
where:
Base-Base interactions energy: -135.001
where: short stacking energy: -74.220
Base-Backbone interact. energy: -0.003
local terms energy: -76.921027
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -139.284339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.284339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.284339 (E_RNA)
where:
Base-Base interactions energy: -83.568
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.188
local terms energy: -55.528045
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.694
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: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -86.543899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.543899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.543899 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -29.407
Base-Backbone interact. energy: -0.432
local terms energy: -55.861642
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -87.229236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229236 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -38.220
Base-Backbone interact. energy: -0.108
local terms energy: -50.201485
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -80.463494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.463494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.463494 (E_RNA)
where:
Base-Base interactions energy: -30.876
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.168
local terms energy: -49.420175
where:
bonds (distance) C4'-P energy: -6.469
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -9.393
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: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -72.523969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.523969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.523969 (E_RNA)
where:
Base-Base interactions energy: -29.669
where: short stacking energy: -29.669
Base-Backbone interact. energy: -0.170
local terms energy: -42.684241
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -7.436
flat angles P-C4'-P energy: -2.226
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -225.163643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.163643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.163643 (E_RNA)
where:
Base-Base interactions energy: -143.689
where: short stacking energy: -74.063
Base-Backbone interact. energy: -0.065
local terms energy: -81.409548
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -222.914862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.914862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.914862 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -75.318
Base-Backbone interact. energy: -0.128
local terms energy: -83.806455
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -219.377710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.377710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.377710 (E_RNA)
where:
Base-Base interactions energy: -142.770
where: short stacking energy: -76.919
Base-Backbone interact. energy: -0.220
local terms energy: -76.388240
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -208.975535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.975535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.975535 (E_RNA)
where:
Base-Base interactions energy: -125.857
where: short stacking energy: -71.423
Base-Backbone interact. energy: -0.002
local terms energy: -83.116495
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -192.244739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.244739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.244739 (E_RNA)
where:
Base-Base interactions energy: -117.666
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.103
local terms energy: -74.475806
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.334
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: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -95.658012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.658012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.658012 (E_RNA)
where:
Base-Base interactions energy: -34.940
where: short stacking energy: -34.940
Base-Backbone interact. energy: 0.411
local terms energy: -61.129680
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -139.718988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.718988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.718988 (E_RNA)
where:
Base-Base interactions energy: -90.588
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.180
local terms energy: -48.951060
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -102.775931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.775931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.775931 (E_RNA)
where:
Base-Base interactions energy: -42.332
where: short stacking energy: -37.793
Base-Backbone interact. energy: -0.292
local terms energy: -60.151799
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -82.584650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.584650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.584650 (E_RNA)
where:
Base-Base interactions energy: -27.932
where: short stacking energy: -27.932
Base-Backbone interact. energy: -0.129
local terms energy: -54.523503
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -83.936397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.936397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.936397 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -21.765
Base-Backbone interact. energy: -0.332
local terms energy: -51.831352
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -224.015678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.015678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.015678 (E_RNA)
where:
Base-Base interactions energy: -145.825
where: short stacking energy: -82.453
Base-Backbone interact. energy: -0.132
local terms energy: -78.058556
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.123
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: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -212.402980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.402980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.402980 (E_RNA)
where:
Base-Base interactions energy: -129.997
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.135
local terms energy: -82.270731
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -216.670474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.670474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.670474 (E_RNA)
where:
Base-Base interactions energy: -137.688
where: short stacking energy: -69.971
Base-Backbone interact. energy: -0.056
local terms energy: -78.926530
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -201.561223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.561223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.561223 (E_RNA)
where:
Base-Base interactions energy: -126.510
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.010
local terms energy: -75.040913
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -11.248
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: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -115.667746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.667746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.667746 (E_RNA)
where:
Base-Base interactions energy: -54.849
where: short stacking energy: -42.609
Base-Backbone interact. energy: -0.230
local terms energy: -60.588042
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -8.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -184.884619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.884619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.884619 (E_RNA)
where:
Base-Base interactions energy: -122.925
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.848
local terms energy: -61.111982
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -155.904903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.904903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.904903 (E_RNA)
where:
Base-Base interactions energy: -93.634
where: short stacking energy: -41.662
Base-Backbone interact. energy: -0.136
local terms energy: -62.135080
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -90.164092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.164092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.164092 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -24.230
Base-Backbone interact. energy: -0.128
local terms energy: -57.313242
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.226
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: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -87.568214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568214 (E_RNA)
where:
Base-Base interactions energy: -34.640
where: short stacking energy: -29.881
Base-Backbone interact. energy: -0.164
local terms energy: -52.763748
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -7.555
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: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -87.797919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.797919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.797919 (E_RNA)
where:
Base-Base interactions energy: -32.526
where: short stacking energy: -29.372
Base-Backbone interact. energy: -0.023
local terms energy: -55.248272
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -228.010511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010511 (E_RNA)
where:
Base-Base interactions energy: -145.638
where: short stacking energy: -83.902
Base-Backbone interact. energy: -0.002
local terms energy: -82.371220
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -202.025957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.025957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.025957 (E_RNA)
where:
Base-Base interactions energy: -125.801
where: short stacking energy: -65.934
Base-Backbone interact. energy: -0.099
local terms energy: -76.126431
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -197.577528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.577528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.577528 (E_RNA)
where:
Base-Base interactions energy: -126.360
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.016
local terms energy: -71.201359
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -219.016543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.016543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.016543 (E_RNA)
where:
Base-Base interactions energy: -139.613
where: short stacking energy: -79.292
Base-Backbone interact. energy: -0.003
local terms energy: -79.400585
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.185
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: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -98.655740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.655740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.655740 (E_RNA)
where:
Base-Base interactions energy: -45.524
where: short stacking energy: -45.524
Base-Backbone interact. energy: -0.108
local terms energy: -53.023265
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -178.081668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.081668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.081668 (E_RNA)
where:
Base-Base interactions energy: -114.025
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.106
local terms energy: -63.950357
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -14.846
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: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -141.530017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.530017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.530017 (E_RNA)
where:
Base-Base interactions energy: -89.317
where: short stacking energy: -41.815
Base-Backbone interact. energy: -0.192
local terms energy: -52.021157
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -2.704
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -85.259500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259500 (E_RNA)
where:
Base-Base interactions energy: -46.488
where: short stacking energy: -28.906
Base-Backbone interact. energy: -1.053
local terms energy: -37.717717
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: 2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -94.069627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.069627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.069627 (E_RNA)
where:
Base-Base interactions energy: -48.626
where: short stacking energy: -34.799
Base-Backbone interact. energy: -0.212
local terms energy: -45.231451
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -4.970
flat angles P-C4'-P energy: -7.557
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: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -92.175802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.175802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.175802 (E_RNA)
where:
Base-Base interactions energy: -26.644
where: short stacking energy: -26.563
Base-Backbone interact. energy: -0.170
local terms energy: -65.361479
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -206.110117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.110117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.110117 (E_RNA)
where:
Base-Base interactions energy: -127.401
where: short stacking energy: -64.790
Base-Backbone interact. energy: 0.770
local terms energy: -79.479525
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -15.701
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: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -214.411640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.411640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.411640 (E_RNA)
where:
Base-Base interactions energy: -136.335
where: short stacking energy: -76.199
Base-Backbone interact. energy: -0.008
local terms energy: -78.068021
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -212.980179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.980179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.980179 (E_RNA)
where:
Base-Base interactions energy: -132.385
where: short stacking energy: -70.475
Base-Backbone interact. energy: -0.002
local terms energy: -80.593124
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -13.841
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: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -210.806091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.806091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.806091 (E_RNA)
where:
Base-Base interactions energy: -134.490
where: short stacking energy: -68.856
Base-Backbone interact. energy: -0.021
local terms energy: -76.294921
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -188.404272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.404272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.404272 (E_RNA)
where:
Base-Base interactions energy: -121.555
where: short stacking energy: -64.150
Base-Backbone interact. energy: -0.145
local terms energy: -66.704343
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -9.406
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: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -99.555029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.555029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.555029 (E_RNA)
where:
Base-Base interactions energy: -39.188
where: short stacking energy: -35.924
Base-Backbone interact. energy: -0.299
local terms energy: -60.067921
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -9.051
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -161.633764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.633764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.633764 (E_RNA)
where:
Base-Base interactions energy: -94.615
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.129
local terms energy: -66.889399
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -13.552
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: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -102.408066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.408066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.408066 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -25.967
Base-Backbone interact. energy: -0.213
local terms energy: -62.186092
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -4.140
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: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -91.957772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.957772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.957772 (E_RNA)
where:
Base-Base interactions energy: -36.961
where: short stacking energy: -37.361
Base-Backbone interact. energy: -1.013
local terms energy: -53.983155
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -7.821
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.917
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: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -77.017923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.017923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.017923 (E_RNA)
where:
Base-Base interactions energy: -28.557
where: short stacking energy: -23.683
Base-Backbone interact. energy: -0.164
local terms energy: -48.297282
where:
bonds (distance) C4'-P energy: -7.174
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -224.161823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.161823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.161823 (E_RNA)
where:
Base-Base interactions energy: -144.559
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.042
local terms energy: -79.560997
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -23.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -219.336043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.336043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.336043 (E_RNA)
where:
Base-Base interactions energy: -136.032
where: short stacking energy: -75.530
Base-Backbone interact. energy: 0.214
local terms energy: -83.517625
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -22.950
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: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -225.788748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.788748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.788748 (E_RNA)
where:
Base-Base interactions energy: -144.652
where: short stacking energy: -82.857
Base-Backbone interact. energy: -0.045
local terms energy: -81.091266
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -188.249778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.249778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.249778 (E_RNA)
where:
Base-Base interactions energy: -117.257
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.176
local terms energy: -70.816736
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -9.897
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -214.315967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315967 (E_RNA)
where:
Base-Base interactions energy: -131.300
where: short stacking energy: -78.170
Base-Backbone interact. energy: -0.017
local terms energy: -82.998958
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -25.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -173.789450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.789450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.789450 (E_RNA)
where:
Base-Base interactions energy: -106.159
where: short stacking energy: -59.227
Base-Backbone interact. energy: -0.073
local terms energy: -67.557709
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -93.444680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.444680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.444680 (E_RNA)
where:
Base-Base interactions energy: -35.831
where: short stacking energy: -35.831
Base-Backbone interact. energy: 0.459
local terms energy: -58.072998
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -98.325542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.325542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.325542 (E_RNA)
where:
Base-Base interactions energy: -42.345
where: short stacking energy: -42.345
Base-Backbone interact. energy: 1.208
local terms energy: -57.187676
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -95.538009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.538009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.538009 (E_RNA)
where:
Base-Base interactions energy: -42.748
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.120
local terms energy: -52.669720
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -2.317
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: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -80.090126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090126 (E_RNA)
where:
Base-Base interactions energy: -27.397
where: short stacking energy: -27.397
Base-Backbone interact. energy: -0.099
local terms energy: -52.593822
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -225.955896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.955896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.955896 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.004
local terms energy: -86.565149
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -13.215
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: 2, replica: 4
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -223.708674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.708674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.708674 (E_RNA)
where:
Base-Base interactions energy: -145.160
where: short stacking energy: -77.175
Base-Backbone interact. energy: -0.001
local terms energy: -78.548119
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.888
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: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -226.105505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.105505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.105505 (E_RNA)
where:
Base-Base interactions energy: -145.926
where: short stacking energy: -79.302
Base-Backbone interact. energy: -0.000
local terms energy: -80.179289
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.772
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: 4, replica: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -186.377138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.377138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.377138 (E_RNA)
where:
Base-Base interactions energy: -109.084
where: short stacking energy: -51.425
Base-Backbone interact. energy: -0.115
local terms energy: -77.178431
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -185.378279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.378279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.378279 (E_RNA)
where:
Base-Base interactions energy: -120.836
where: short stacking energy: -57.236
Base-Backbone interact. energy: -0.198
local terms energy: -64.344789
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -197.688402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.688402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.688402 (E_RNA)
where:
Base-Base interactions energy: -123.506
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.099
local terms energy: -74.083319
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -7.199
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: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -115.006506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.006506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.006506 (E_RNA)
where:
Base-Base interactions energy: -44.084
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.102
local terms energy: -70.821006
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -11.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -89.688781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.688781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.688781 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.129
local terms energy: -56.676430
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -90.407684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.407684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.407684 (E_RNA)
where:
Base-Base interactions energy: -39.609
where: short stacking energy: -31.727
Base-Backbone interact. energy: -0.015
local terms energy: -50.783739
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -84.277899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.277899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.277899 (E_RNA)
where:
Base-Base interactions energy: -45.670
where: short stacking energy: -21.466
Base-Backbone interact. energy: -0.161
local terms energy: -38.446998
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -7.047
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: 1, replica: 1
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -225.841788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.841788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.841788 (E_RNA)
where:
Base-Base interactions energy: -142.677
where: short stacking energy: -75.884
Base-Backbone interact. energy: -0.414
local terms energy: -82.750810
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -231.466978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.466978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.466978 (E_RNA)
where:
Base-Base interactions energy: -141.163
where: short stacking energy: -73.735
Base-Backbone interact. energy: -0.012
local terms energy: -90.292349
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -24.284
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: 4
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -210.936139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.936139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.936139 (E_RNA)
where:
Base-Base interactions energy: -137.696
where: short stacking energy: -69.564
Base-Backbone interact. energy: -0.638
local terms energy: -72.602049
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -11.326
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: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -212.168457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.168457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.168457 (E_RNA)
where:
Base-Base interactions energy: -134.125
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.064
local terms energy: -77.979641
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -22.354
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: 131
Temperature: 1.100000
Total energy: -179.728891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.728891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.728891 (E_RNA)
where:
Base-Base interactions energy: -113.239
where: short stacking energy: -64.455
Base-Backbone interact. energy: -0.015
local terms energy: -66.474823
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -200.268744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.268744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.268744 (E_RNA)
where:
Base-Base interactions energy: -127.732
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.095
local terms energy: -72.441791
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -100.212260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.212260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.212260 (E_RNA)
where:
Base-Base interactions energy: -41.976
where: short stacking energy: -41.731
Base-Backbone interact. energy: -0.010
local terms energy: -58.226431
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -7.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -99.882054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.882054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.882054 (E_RNA)
where:
Base-Base interactions energy: -48.030
where: short stacking energy: -48.030
Base-Backbone interact. energy: -0.002
local terms energy: -51.849522
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -5.373
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -99.177838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.177838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.177838 (E_RNA)
where:
Base-Base interactions energy: -44.097
where: short stacking energy: -39.672
Base-Backbone interact. energy: -0.013
local terms energy: -55.067305
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -78.355774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.355774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.355774 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -20.559
Base-Backbone interact. energy: 1.068
local terms energy: -41.147266
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -8.648
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -239.756231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.756231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.756231 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.008
local terms energy: -94.060921
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -219.890840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.890840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890840 (E_RNA)
where:
Base-Base interactions energy: -139.566
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.008
local terms energy: -80.317435
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -10.660
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: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -204.130701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.130701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.130701 (E_RNA)
where:
Base-Base interactions energy: -128.622
where: short stacking energy: -66.451
Base-Backbone interact. energy: -0.430
local terms energy: -75.078649
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -200.449571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.449571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.449571 (E_RNA)
where:
Base-Base interactions energy: -125.430
where: short stacking energy: -71.422
Base-Backbone interact. energy: 0.933
local terms energy: -75.953304
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -214.275634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.275634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.275634 (E_RNA)
where:
Base-Base interactions energy: -129.792
where: short stacking energy: -73.636
Base-Backbone interact. energy: -0.018
local terms energy: -84.465674
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -13.739
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: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -173.866999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.866999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.866999 (E_RNA)
where:
Base-Base interactions energy: -112.777
where: short stacking energy: -45.911
Base-Backbone interact. energy: 1.024
local terms energy: -62.113797
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -9.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -92.241054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.241054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.241054 (E_RNA)
where:
Base-Base interactions energy: -35.943
where: short stacking energy: -35.738
Base-Backbone interact. energy: -0.444
local terms energy: -55.854121
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -89.034478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.034478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.034478 (E_RNA)
where:
Base-Base interactions energy: -38.485
where: short stacking energy: -38.485
Base-Backbone interact. energy: -0.008
local terms energy: -50.540926
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -99.209153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.209153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.209153 (E_RNA)
where:
Base-Base interactions energy: -37.255
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.075
local terms energy: -61.879785
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -8.983
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -76.595161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.595161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.595161 (E_RNA)
where:
Base-Base interactions energy: -28.836
where: short stacking energy: -27.194
Base-Backbone interact. energy: 1.140
local terms energy: -48.899197
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -234.715160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.715160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.715160 (E_RNA)
where:
Base-Base interactions energy: -147.768
where: short stacking energy: -83.381
Base-Backbone interact. energy: -0.307
local terms energy: -86.639909
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -22.850
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: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -221.397224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.397224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.397224 (E_RNA)
where:
Base-Base interactions energy: -145.108
where: short stacking energy: -84.340
Base-Backbone interact. energy: -0.001
local terms energy: -76.288379
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -21.992
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: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -222.191707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.191707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.191707 (E_RNA)
where:
Base-Base interactions energy: -145.674
where: short stacking energy: -75.956
Base-Backbone interact. energy: 0.506
local terms energy: -77.023839
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -12.281
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: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -219.319388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.319388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.319388 (E_RNA)
where:
Base-Base interactions energy: -137.078
where: short stacking energy: -76.843
Base-Backbone interact. energy: -0.634
local terms energy: -81.607371
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -22.364
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -210.481880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.481880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.481880 (E_RNA)
where:
Base-Base interactions energy: -131.377
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.027
local terms energy: -79.078051
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -8.940
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: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -184.915114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.915114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.915114 (E_RNA)
where:
Base-Base interactions energy: -113.714
where: short stacking energy: -54.288
Base-Backbone interact. energy: -0.082
local terms energy: -71.118577
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -18.134
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: 133
Temperature: 1.200000
Total energy: -107.679834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.679834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.679834 (E_RNA)
where:
Base-Base interactions energy: -44.882
where: short stacking energy: -39.800
Base-Backbone interact. energy: -0.082
local terms energy: -62.716256
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -7.249
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: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -93.593259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.593259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.593259 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -30.954
Base-Backbone interact. energy: 0.412
local terms energy: -59.330740
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -88.384218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.384218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.384218 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -32.804
Base-Backbone interact. energy: -0.219
local terms energy: -55.361074
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -6.506
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: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -88.771007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.771007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.771007 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -28.831
Base-Backbone interact. energy: 0.017
local terms energy: -52.456146
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -8.244
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: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -229.945661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.945661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.945661 (E_RNA)
where:
Base-Base interactions energy: -139.165
where: short stacking energy: -80.184
Base-Backbone interact. energy: -0.229
local terms energy: -90.552108
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -25.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -218.249089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.249089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.249089 (E_RNA)
where:
Base-Base interactions energy: -130.962
where: short stacking energy: -73.734
Base-Backbone interact. energy: -0.128
local terms energy: -87.158626
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -22.633
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: 3
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -223.742826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.742826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.742826 (E_RNA)
where:
Base-Base interactions energy: -135.104
where: short stacking energy: -70.924
Base-Backbone interact. energy: -0.061
local terms energy: -88.577875
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -196.674540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.674540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.674540 (E_RNA)
where:
Base-Base interactions energy: -118.931
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.086
local terms energy: -77.657299
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -14.680
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: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -193.404084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.404084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.404084 (E_RNA)
where:
Base-Base interactions energy: -126.419
where: short stacking energy: -60.086
Base-Backbone interact. energy: -0.121
local terms energy: -66.863954
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -16.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -183.462684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.462684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.462684 (E_RNA)
where:
Base-Base interactions energy: -127.562
where: short stacking energy: -63.184
Base-Backbone interact. energy: -0.009
local terms energy: -55.891700
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -7.498
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -4.888
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: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -133.579246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.579246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.579246 (E_RNA)
where:
Base-Base interactions energy: -70.504
where: short stacking energy: -48.305
Base-Backbone interact. energy: -0.028
local terms energy: -63.047047
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -10.801
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: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -97.267980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.267980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.267980 (E_RNA)
where:
Base-Base interactions energy: -40.951
where: short stacking energy: -39.405
Base-Backbone interact. energy: -0.131
local terms energy: -56.185603
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -83.383504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.383504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.383504 (E_RNA)
where:
Base-Base interactions energy: -25.777
where: short stacking energy: -25.777
Base-Backbone interact. energy: 0.051
local terms energy: -57.657156
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -92.613862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.613862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.613862 (E_RNA)
where:
Base-Base interactions energy: -45.522
where: short stacking energy: -35.006
Base-Backbone interact. energy: 3.826
local terms energy: -50.917147
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -1.814
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: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -230.168827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.168827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.168827 (E_RNA)
where:
Base-Base interactions energy: -146.419
where: short stacking energy: -83.968
Base-Backbone interact. energy: -0.000
local terms energy: -83.749302
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -223.808281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.808281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.808281 (E_RNA)
where:
Base-Base interactions energy: -144.312
where: short stacking energy: -73.927
Base-Backbone interact. energy: -0.007
local terms energy: -79.489242
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -10.796
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: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -223.590666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.590666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.590666 (E_RNA)
where:
Base-Base interactions energy: -142.847
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.001
local terms energy: -80.742460
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -12.310
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: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -205.656516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.656516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.656516 (E_RNA)
where:
Base-Base interactions energy: -122.887
where: short stacking energy: -64.838
Base-Backbone interact. energy: -0.033
local terms energy: -82.736568
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -23.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -192.293606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.293606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.293606 (E_RNA)
where:
Base-Base interactions energy: -123.021
where: short stacking energy: -66.298
Base-Backbone interact. energy: -0.052
local terms energy: -69.220862
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -16.103
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: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -189.687788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.687788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.687788 (E_RNA)
where:
Base-Base interactions energy: -122.612
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.469
local terms energy: -66.606915
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -105.517535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.517535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.517535 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -47.049
Base-Backbone interact. energy: -0.010
local terms energy: -58.458146
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -7.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -95.361337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.361337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.361337 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -33.732
Base-Backbone interact. energy: -0.005
local terms energy: -59.285509
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.552
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: 135
Temperature: 1.300000
Total energy: -92.427157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.427157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.427157 (E_RNA)
where:
Base-Base interactions energy: -35.861
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.191
local terms energy: -56.375326
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -83.593519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.593519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.593519 (E_RNA)
where:
Base-Base interactions energy: -26.914
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.162
local terms energy: -56.516840
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -215.287357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.287357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.287357 (E_RNA)
where:
Base-Base interactions energy: -134.342
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.000
local terms energy: -80.945210
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -213.677094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.677094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.677094 (E_RNA)
where:
Base-Base interactions energy: -136.942
where: short stacking energy: -77.732
Base-Backbone interact. energy: -0.022
local terms energy: -76.712929
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -211.829415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.829415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.829415 (E_RNA)
where:
Base-Base interactions energy: -137.902
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.176
local terms energy: -73.751520
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -14.751
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: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -186.445158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.445158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.445158 (E_RNA)
where:
Base-Base interactions energy: -121.544
where: short stacking energy: -57.638
Base-Backbone interact. energy: 0.282
local terms energy: -65.182371
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -193.643607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.643607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.643607 (E_RNA)
where:
Base-Base interactions energy: -126.265
where: short stacking energy: -58.942
Base-Backbone interact. energy: -0.662
local terms energy: -66.716261
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -189.783591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.783591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.783591 (E_RNA)
where:
Base-Base interactions energy: -127.180
where: short stacking energy: -70.114
Base-Backbone interact. energy: -0.008
local terms energy: -62.594983
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -0.517
tors. eta vs tors. theta energy: -19.476
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: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -97.396928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.396928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.396928 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -42.556
Base-Backbone interact. energy: -0.104
local terms energy: -54.406964
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -92.608060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.608060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.608060 (E_RNA)
where:
Base-Base interactions energy: -37.367
where: short stacking energy: -37.352
Base-Backbone interact. energy: -0.171
local terms energy: -55.070790
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -88.139093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.139093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.139093 (E_RNA)
where:
Base-Base interactions energy: -35.191
where: short stacking energy: -35.191
Base-Backbone interact. energy: 0.663
local terms energy: -53.611197
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -7.682
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: 136
Temperature: 1.350000
Total energy: -77.693028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.693028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.693028 (E_RNA)
where:
Base-Base interactions energy: -32.047
where: short stacking energy: -32.047
Base-Backbone interact. energy: -0.029
local terms energy: -45.616770
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -6.981
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -217.787467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.787467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.787467 (E_RNA)
where:
Base-Base interactions energy: -135.561
where: short stacking energy: -68.353
Base-Backbone interact. energy: -0.000
local terms energy: -82.226387
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -22.693
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: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -211.075347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.075347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075347 (E_RNA)
where:
Base-Base interactions energy: -137.925
where: short stacking energy: -70.525
Base-Backbone interact. energy: 0.596
local terms energy: -73.746628
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -226.382634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.382634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.382634 (E_RNA)
where:
Base-Base interactions energy: -141.491
where: short stacking energy: -79.476
Base-Backbone interact. energy: -0.020
local terms energy: -84.870865
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -26.206
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: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -199.333640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.333640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.333640 (E_RNA)
where:
Base-Base interactions energy: -127.780
where: short stacking energy: -65.128
Base-Backbone interact. energy: -0.584
local terms energy: -70.969458
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -11.254
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: 5, replica: 5
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -198.404978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.404978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.404978 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.014
local terms energy: -72.708415
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -193.802718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.802718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.802718 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -69.856
Base-Backbone interact. energy: -0.003
local terms energy: -64.000576
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -4.559
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -108.069150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.069150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.069150 (E_RNA)
where:
Base-Base interactions energy: -47.591
where: short stacking energy: -48.291
Base-Backbone interact. energy: -0.222
local terms energy: -60.256350
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -9.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -100.765093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.765093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.765093 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -41.272
Base-Backbone interact. energy: -0.052
local terms energy: -58.094042
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -109.495887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.495887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.495887 (E_RNA)
where:
Base-Base interactions energy: -48.431
where: short stacking energy: -34.905
Base-Backbone interact. energy: -0.180
local terms energy: -60.885387
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -84.032078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032078 (E_RNA)
where:
Base-Base interactions energy: -27.361
where: short stacking energy: -27.361
Base-Backbone interact. energy: 1.583
local terms energy: -58.253564
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -230.343844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.343844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.343844 (E_RNA)
where:
Base-Base interactions energy: -143.905
where: short stacking energy: -79.177
Base-Backbone interact. energy: -0.140
local terms energy: -86.298727
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -25.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -219.700901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.700901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.700901 (E_RNA)
where:
Base-Base interactions energy: -135.240
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.000
local terms energy: -84.461050
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -226.323841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.323841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323841 (E_RNA)
where:
Base-Base interactions energy: -142.459
where: short stacking energy: -77.869
Base-Backbone interact. energy: -0.010
local terms energy: -83.855059
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -24.969
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: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -186.959590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.959590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.959590 (E_RNA)
where:
Base-Base interactions energy: -111.620
where: short stacking energy: -64.446
Base-Backbone interact. energy: -0.071
local terms energy: -75.268295
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -201.807276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.807276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.807276 (E_RNA)
where:
Base-Base interactions energy: -121.775
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.022
local terms energy: -80.009879
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -202.803926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.803926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.803926 (E_RNA)
where:
Base-Base interactions energy: -128.454
where: short stacking energy: -63.989
Base-Backbone interact. energy: -0.102
local terms energy: -74.248219
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -116.911589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.911589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.911589 (E_RNA)
where:
Base-Base interactions energy: -55.998
where: short stacking energy: -53.482
Base-Backbone interact. energy: -0.076
local terms energy: -60.837787
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -91.328245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.328245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.328245 (E_RNA)
where:
Base-Base interactions energy: -39.218
where: short stacking energy: -39.218
Base-Backbone interact. energy: 0.027
local terms energy: -52.137313
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -8.886
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: 138
Temperature: 1.300000
Total energy: -81.701145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.701145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.701145 (E_RNA)
where:
Base-Base interactions energy: -21.735
where: short stacking energy: -21.526
Base-Backbone interact. energy: -0.037
local terms energy: -59.928681
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -7.164
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: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -79.717506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.717506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.717506 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -24.244
Base-Backbone interact. energy: -0.963
local terms energy: -48.771470
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -223.560459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.560459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.560459 (E_RNA)
where:
Base-Base interactions energy: -144.181
where: short stacking energy: -76.737
Base-Backbone interact. energy: -0.029
local terms energy: -79.350084
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -219.103341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.103341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.103341 (E_RNA)
where:
Base-Base interactions energy: -138.673
where: short stacking energy: -73.369
Base-Backbone interact. energy: -0.001
local terms energy: -80.429363
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -218.632948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632948 (E_RNA)
where:
Base-Base interactions energy: -142.204
where: short stacking energy: -76.013
Base-Backbone interact. energy: -0.002
local terms energy: -76.426575
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -9.762
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: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -202.718327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.718327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.718327 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.443
local terms energy: -77.352341
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -8.161
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: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -187.623823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.623823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.623823 (E_RNA)
where:
Base-Base interactions energy: -112.126
where: short stacking energy: -58.796
Base-Backbone interact. energy: -1.182
local terms energy: -74.315705
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -199.297253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.297253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.297253 (E_RNA)
where:
Base-Base interactions energy: -127.947
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.065
local terms energy: -71.285591
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -95.650257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.650257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.650257 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -29.210
Base-Backbone interact. energy: -0.126
local terms energy: -55.485273
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -93.976221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.976221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.976221 (E_RNA)
where:
Base-Base interactions energy: -39.422
where: short stacking energy: -39.422
Base-Backbone interact. energy: -0.020
local terms energy: -54.534432
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -87.503780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.503780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.503780 (E_RNA)
where:
Base-Base interactions energy: -32.194
where: short stacking energy: -32.194
Base-Backbone interact. energy: -0.188
local terms energy: -55.122407
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -83.103606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.103606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.103606 (E_RNA)
where:
Base-Base interactions energy: -26.136
where: short stacking energy: -21.944
Base-Backbone interact. energy: -0.227
local terms energy: -56.740413
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -221.209806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.209806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.209806 (E_RNA)
where:
Base-Base interactions energy: -141.598
where: short stacking energy: -78.317
Base-Backbone interact. energy: -0.044
local terms energy: -79.567762
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -220.937866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.937866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.937866 (E_RNA)
where:
Base-Base interactions energy: -141.060
where: short stacking energy: -75.144
Base-Backbone interact. energy: -0.027
local terms energy: -79.851154
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -222.482378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.482378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.482378 (E_RNA)
where:
Base-Base interactions energy: -140.861
where: short stacking energy: -77.403
Base-Backbone interact. energy: -0.051
local terms energy: -81.570408
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -204.477483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.477483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.477483 (E_RNA)
where:
Base-Base interactions energy: -134.753
where: short stacking energy: -75.070
Base-Backbone interact. energy: -0.172
local terms energy: -69.553054
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -7.253
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: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -193.751570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.751570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.751570 (E_RNA)
where:
Base-Base interactions energy: -121.586
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.225
local terms energy: -71.940590
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -16.693
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: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -190.238690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.238690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.238690 (E_RNA)
where:
Base-Base interactions energy: -120.594
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.167
local terms energy: -69.477518
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -96.598153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.598153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.598153 (E_RNA)
where:
Base-Base interactions energy: -38.450
where: short stacking energy: -38.423
Base-Backbone interact. energy: -0.112
local terms energy: -58.036551
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -8.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -81.340394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340394 (E_RNA)
where:
Base-Base interactions energy: -33.808
where: short stacking energy: -30.849
Base-Backbone interact. energy: 0.717
local terms energy: -48.249204
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -7.240
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: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -84.794262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.794262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.794262 (E_RNA)
where:
Base-Base interactions energy: -30.659
where: short stacking energy: -32.159
Base-Backbone interact. energy: 0.226
local terms energy: -54.361033
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.107
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: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -89.830914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.830914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.830914 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -35.064
Base-Backbone interact. energy: -0.030
local terms energy: -54.736609
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -210.335574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.335574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.335574 (E_RNA)
where:
Base-Base interactions energy: -136.519
where: short stacking energy: -70.829
Base-Backbone interact. energy: -0.082
local terms energy: -73.735010
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -231.650135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.650135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.650135 (E_RNA)
where:
Base-Base interactions energy: -143.700
where: short stacking energy: -85.779
Base-Backbone interact. energy: -0.005
local terms energy: -87.944394
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -26.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -214.788894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.788894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.788894 (E_RNA)
where:
Base-Base interactions energy: -134.451
where: short stacking energy: -73.973
Base-Backbone interact. energy: -0.008
local terms energy: -80.329024
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -197.424241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.424241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.424241 (E_RNA)
where:
Base-Base interactions energy: -122.351
where: short stacking energy: -61.208
Base-Backbone interact. energy: -0.014
local terms energy: -75.059529
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -7.733
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: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -194.145960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.145960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.145960 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.096
local terms energy: -77.959973
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -13.300
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: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -185.533599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.533599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.533599 (E_RNA)
where:
Base-Base interactions energy: -113.879
where: short stacking energy: -63.846
Base-Backbone interact. energy: 0.240
local terms energy: -71.894433
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -101.840282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.840282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.840282 (E_RNA)
where:
Base-Base interactions energy: -48.042
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.021
local terms energy: -53.776975
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -4.036
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: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -96.389717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.389717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.389717 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -31.700
Base-Backbone interact. energy: 0.226
local terms energy: -64.535102
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -95.302480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.302480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.302480 (E_RNA)
where:
Base-Base interactions energy: -35.794
where: short stacking energy: -35.794
Base-Backbone interact. energy: -0.032
local terms energy: -59.476752
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -8.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -83.776997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.776997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.776997 (E_RNA)
where:
Base-Base interactions energy: -26.030
where: short stacking energy: -26.030
Base-Backbone interact. energy: -0.102
local terms energy: -57.645298
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -229.090137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.090137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.090137 (E_RNA)
where:
Base-Base interactions energy: -148.161
where: short stacking energy: -84.131
Base-Backbone interact. energy: -0.009
local terms energy: -80.920241
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -25.812
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: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -217.363193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.363193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.363193 (E_RNA)
where:
Base-Base interactions energy: -136.166
where: short stacking energy: -72.378
Base-Backbone interact. energy: 1.696
local terms energy: -82.894055
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.664
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: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -215.054620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054620 (E_RNA)
where:
Base-Base interactions energy: -142.514
where: short stacking energy: -71.076
Base-Backbone interact. energy: -0.053
local terms energy: -72.488316
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -4.335
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: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -204.873993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.873993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.873993 (E_RNA)
where:
Base-Base interactions energy: -136.414
where: short stacking energy: -78.103
Base-Backbone interact. energy: -0.006
local terms energy: -68.454029
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -6.789
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: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -192.498238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.498238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.498238 (E_RNA)
where:
Base-Base interactions energy: -119.023
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.147
local terms energy: -73.327822
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -200.870423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.870423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.870423 (E_RNA)
where:
Base-Base interactions energy: -125.825
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.023
local terms energy: -75.021828
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -129.892949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.892949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.892949 (E_RNA)
where:
Base-Base interactions energy: -73.792
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.272
local terms energy: -55.828331
where:
bonds (distance) C4'-P energy: -3.718
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -86.898676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.898676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.898676 (E_RNA)
where:
Base-Base interactions energy: -32.271
where: short stacking energy: -32.215
Base-Backbone interact. energy: -0.361
local terms energy: -54.266238
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -81.677795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.677795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.677795 (E_RNA)
where:
Base-Base interactions energy: -26.739
where: short stacking energy: -26.739
Base-Backbone interact. energy: -0.112
local terms energy: -54.826764
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -72.421019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.421019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.421019 (E_RNA)
where:
Base-Base interactions energy: -17.426
where: short stacking energy: -17.426
Base-Backbone interact. energy: -0.110
local terms energy: -54.885424
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -232.088586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.088586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.088586 (E_RNA)
where:
Base-Base interactions energy: -143.448
where: short stacking energy: -82.670
Base-Backbone interact. energy: -0.019
local terms energy: -88.621474
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -24.704
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: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -220.932053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.932053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.932053 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -75.600
Base-Backbone interact. energy: -0.035
local terms energy: -83.164957
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -218.482901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.482901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.482901 (E_RNA)
where:
Base-Base interactions energy: -138.040
where: short stacking energy: -77.608
Base-Backbone interact. energy: -0.011
local terms energy: -80.432639
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -190.070416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.070416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.070416 (E_RNA)
where:
Base-Base interactions energy: -115.685
where: short stacking energy: -61.834
Base-Backbone interact. energy: -1.277
local terms energy: -73.108152
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -203.023512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.023512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.023512 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.043
local terms energy: -74.937057
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -160.159337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.159337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.159337 (E_RNA)
where:
Base-Base interactions energy: -99.743
where: short stacking energy: -50.216
Base-Backbone interact. energy: -0.189
local terms energy: -60.227415
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -173.720104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.720104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.720104 (E_RNA)
where:
Base-Base interactions energy: -115.558
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.018
local terms energy: -58.143877
where:
bonds (distance) C4'-P energy: -6.048
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -10.816
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: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -94.407659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.407659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.407659 (E_RNA)
where:
Base-Base interactions energy: -36.246
where: short stacking energy: -36.846
Base-Backbone interact. energy: 0.106
local terms energy: -58.267760
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -6.026
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: 10
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -78.833562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.833562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.833562 (E_RNA)
where:
Base-Base interactions energy: -31.883
where: short stacking energy: -31.621
Base-Backbone interact. energy: -0.219
local terms energy: -46.730844
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -110.089882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.089882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.089882 (E_RNA)
where:
Base-Base interactions energy: -61.747
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.135
local terms energy: -48.207204
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -4.200
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -232.922901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.922901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.922901 (E_RNA)
where:
Base-Base interactions energy: -149.777
where: short stacking energy: -86.228
Base-Backbone interact. energy: 1.483
local terms energy: -84.628836
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -23.292
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: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -219.081643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.081643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.081643 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -77.615
Base-Backbone interact. energy: -0.210
local terms energy: -84.991219
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -208.874652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.874652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.874652 (E_RNA)
where:
Base-Base interactions energy: -136.136
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.065
local terms energy: -72.673849
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -212.061249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.061249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.061249 (E_RNA)
where:
Base-Base interactions energy: -131.963
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.098
local terms energy: -79.999973
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -190.629460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.629460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.629460 (E_RNA)
where:
Base-Base interactions energy: -116.556
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.006
local terms energy: -74.067566
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.617
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: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -164.173191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.173191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.173191 (E_RNA)
where:
Base-Base interactions energy: -101.321
where: short stacking energy: -50.404
Base-Backbone interact. energy: 0.103
local terms energy: -62.955051
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -2.382
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -177.916104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.916104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.916104 (E_RNA)
where:
Base-Base interactions energy: -112.555
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.050
local terms energy: -65.311673
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -99.776823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.776823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.776823 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -38.676
Base-Backbone interact. energy: -0.142
local terms energy: -60.958403
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -90.111025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111025 (E_RNA)
where:
Base-Base interactions energy: -29.196
where: short stacking energy: -29.196
Base-Backbone interact. energy: -0.095
local terms energy: -60.820565
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -3.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -81.766527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.766527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.766527 (E_RNA)
where:
Base-Base interactions energy: -35.547
where: short stacking energy: -35.547
Base-Backbone interact. energy: 1.871
local terms energy: -48.090801
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -222.165388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.165388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.165388 (E_RNA)
where:
Base-Base interactions energy: -135.703
where: short stacking energy: -74.010
Base-Backbone interact. energy: -0.221
local terms energy: -86.240777
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.786
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: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -225.601006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.601006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.601006 (E_RNA)
where:
Base-Base interactions energy: -138.237
where: short stacking energy: -76.616
Base-Backbone interact. energy: -0.028
local terms energy: -87.335956
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -13.446
tors. eta vs tors. theta energy: -24.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -219.156131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.156131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.156131 (E_RNA)
where:
Base-Base interactions energy: -137.741
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.037
local terms energy: -81.377655
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -184.979484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.979484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.979484 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -64.368
Base-Backbone interact. energy: 0.728
local terms energy: -63.693951
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -13.798
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: 145
Temperature: 1.100000
Total energy: -197.824164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.824164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.824164 (E_RNA)
where:
Base-Base interactions energy: -125.024
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.043
local terms energy: -72.757321
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -191.009981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.009981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.009981 (E_RNA)
where:
Base-Base interactions energy: -123.853
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.105
local terms energy: -67.052140
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -11.450
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: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -151.515705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.515705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.515705 (E_RNA)
where:
Base-Base interactions energy: -85.415
where: short stacking energy: -43.859
Base-Backbone interact. energy: -0.609
local terms energy: -65.490948
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -92.943056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.943056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.943056 (E_RNA)
where:
Base-Base interactions energy: -35.287
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.207
local terms energy: -57.449699
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -9.168
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: 8
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -97.184109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.184109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.184109 (E_RNA)
where:
Base-Base interactions energy: -48.902
where: short stacking energy: -27.310
Base-Backbone interact. energy: 0.005
local terms energy: -48.287761
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -81.200370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.200370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.200370 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -22.812
Base-Backbone interact. energy: 0.264
local terms energy: -54.857639
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -221.521369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.521369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.521369 (E_RNA)
where:
Base-Base interactions energy: -144.453
where: short stacking energy: -74.218
Base-Backbone interact. energy: -0.054
local terms energy: -77.014657
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -12.060
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: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -218.109303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.109303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.109303 (E_RNA)
where:
Base-Base interactions energy: -134.140
where: short stacking energy: -76.425
Base-Backbone interact. energy: -0.005
local terms energy: -83.963704
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -208.609151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.609151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.609151 (E_RNA)
where:
Base-Base interactions energy: -128.266
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.000
local terms energy: -80.342443
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -22.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -218.026296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.026296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.026296 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -77.567
Base-Backbone interact. energy: -0.672
local terms energy: -79.987087
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -23.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -201.213923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.213923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.213923 (E_RNA)
where:
Base-Base interactions energy: -119.989
where: short stacking energy: -65.767
Base-Backbone interact. energy: -0.801
local terms energy: -80.424105
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -22.420
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -191.847209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847209 (E_RNA)
where:
Base-Base interactions energy: -119.027
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.116
local terms energy: -72.704192
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -140.573412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.573412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.573412 (E_RNA)
where:
Base-Base interactions energy: -84.650
where: short stacking energy: -43.137
Base-Backbone interact. energy: -0.108
local terms energy: -55.816358
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -10.606
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: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -96.169669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.169669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.169669 (E_RNA)
where:
Base-Base interactions energy: -37.521
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.137
local terms energy: -58.512004
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -87.410176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.410176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.410176 (E_RNA)
where:
Base-Base interactions energy: -29.852
where: short stacking energy: -29.852
Base-Backbone interact. energy: -0.103
local terms energy: -57.455548
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -11.678
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: 146
Temperature: 1.350000
Total energy: -77.666042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.666042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.666042 (E_RNA)
where:
Base-Base interactions energy: -27.010
where: short stacking energy: -23.477
Base-Backbone interact. energy: -0.422
local terms energy: -50.234077
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -221.221431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.221431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.221431 (E_RNA)
where:
Base-Base interactions energy: -137.888
where: short stacking energy: -71.455
Base-Backbone interact. energy: -0.001
local terms energy: -83.332813
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -231.991917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.991917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.991917 (E_RNA)
where:
Base-Base interactions energy: -142.823
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.049
local terms energy: -89.119348
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -216.086579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.086579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.086579 (E_RNA)
where:
Base-Base interactions energy: -141.865
where: short stacking energy: -79.890
Base-Backbone interact. energy: -0.285
local terms energy: -73.936796
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.916
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: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -195.853735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.853735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.853735 (E_RNA)
where:
Base-Base interactions energy: -123.257
where: short stacking energy: -75.984
Base-Backbone interact. energy: -0.246
local terms energy: -72.350784
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -22.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -202.925832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925832 (E_RNA)
where:
Base-Base interactions energy: -128.961
where: short stacking energy: -66.089
Base-Backbone interact. energy: -0.015
local terms energy: -73.949025
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -188.543532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.543532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.543532 (E_RNA)
where:
Base-Base interactions energy: -116.682
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.098
local terms energy: -71.763131
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -11.249
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: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -152.181513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.181513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.181513 (E_RNA)
where:
Base-Base interactions energy: -97.912
where: short stacking energy: -40.283
Base-Backbone interact. energy: -0.119
local terms energy: -54.150608
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -100.379838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.379838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.379838 (E_RNA)
where:
Base-Base interactions energy: -46.305
where: short stacking energy: -46.305
Base-Backbone interact. energy: -0.377
local terms energy: -53.697900
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -1.405
tors. eta vs tors. theta energy: -10.750
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: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -88.306261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.306261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.306261 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -24.099
Base-Backbone interact. energy: -0.248
local terms energy: -53.255470
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -91.881809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.881809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.881809 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.142
local terms energy: -53.509510
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -11.012
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -3.394
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: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -232.250764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.250764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.250764 (E_RNA)
where:
Base-Base interactions energy: -146.961
where: short stacking energy: -82.472
Base-Backbone interact. energy: 0.105
local terms energy: -85.395119
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -23.494
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: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -222.358129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.358129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.358129 (E_RNA)
where:
Base-Base interactions energy: -144.711
where: short stacking energy: -77.984
Base-Backbone interact. energy: -0.034
local terms energy: -77.613651
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -215.970047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.970047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.970047 (E_RNA)
where:
Base-Base interactions energy: -147.242
where: short stacking energy: -74.564
Base-Backbone interact. energy: -0.402
local terms energy: -68.326138
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -9.928
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -215.973649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.973649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.973649 (E_RNA)
where:
Base-Base interactions energy: -138.706
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.001
local terms energy: -77.266491
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -202.674532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.674532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.674532 (E_RNA)
where:
Base-Base interactions energy: -126.132
where: short stacking energy: -66.779
Base-Backbone interact. energy: -0.003
local terms energy: -76.539691
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -13.708
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: 6, replica: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -197.976970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.976970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.976970 (E_RNA)
where:
Base-Base interactions energy: -128.286
where: short stacking energy: -66.748
Base-Backbone interact. energy: 0.160
local terms energy: -69.851341
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -19.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -163.777549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.777549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.777549 (E_RNA)
where:
Base-Base interactions energy: -101.322
where: short stacking energy: -39.780
Base-Backbone interact. energy: 0.111
local terms energy: -62.566033
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -97.556767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.556767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.556767 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -35.231
Base-Backbone interact. energy: -0.005
local terms energy: -58.427898
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -80.689277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.689277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.689277 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -31.491
Base-Backbone interact. energy: 0.455
local terms energy: -49.652939
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -9.768
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: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -81.018929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.018929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.018929 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -17.310
Base-Backbone interact. energy: 1.469
local terms energy: -45.957411
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -229.792830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.792830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.792830 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -84.049
Base-Backbone interact. energy: -0.006
local terms energy: -80.846429
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -223.008994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.008994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.008994 (E_RNA)
where:
Base-Base interactions energy: -140.411
where: short stacking energy: -81.853
Base-Backbone interact. energy: -0.035
local terms energy: -82.563328
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -207.103653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.103653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.103653 (E_RNA)
where:
Base-Base interactions energy: -124.722
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.002
local terms energy: -82.380123
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -198.198704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.198704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.198704 (E_RNA)
where:
Base-Base interactions energy: -127.745
where: short stacking energy: -65.631
Base-Backbone interact. energy: -0.041
local terms energy: -70.413164
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -208.398348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.398348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.398348 (E_RNA)
where:
Base-Base interactions energy: -127.707
where: short stacking energy: -64.526
Base-Backbone interact. energy: -0.133
local terms energy: -80.558625
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -18.346
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: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -152.471016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.471016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.471016 (E_RNA)
where:
Base-Base interactions energy: -96.364
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.263
local terms energy: -55.843178
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -12.521
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: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -169.135739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.135739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.135739 (E_RNA)
where:
Base-Base interactions energy: -108.593
where: short stacking energy: -49.519
Base-Backbone interact. energy: -0.186
local terms energy: -60.356813
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -103.783107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.783107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.783107 (E_RNA)
where:
Base-Base interactions energy: -44.012
where: short stacking energy: -43.779
Base-Backbone interact. energy: -0.006
local terms energy: -59.764649
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -6.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -90.736281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.736281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.736281 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -38.219
Base-Backbone interact. energy: -0.096
local terms energy: -52.421371
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -78.400862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.400862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.400862 (E_RNA)
where:
Base-Base interactions energy: -36.050
where: short stacking energy: -35.289
Base-Backbone interact. energy: -0.037
local terms energy: -42.314049
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -218.771222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.771222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.771222 (E_RNA)
where:
Base-Base interactions energy: -136.085
where: short stacking energy: -68.305
Base-Backbone interact. energy: -0.029
local terms energy: -82.657160
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -231.027348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.027348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.027348 (E_RNA)
where:
Base-Base interactions energy: -148.568
where: short stacking energy: -83.299
Base-Backbone interact. energy: -0.001
local terms energy: -82.458914
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -18.659
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -13.296
tors. eta vs tors. theta energy: -23.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -223.419843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.419843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.419843 (E_RNA)
where:
Base-Base interactions energy: -143.959
where: short stacking energy: -73.131
Base-Backbone interact. energy: -0.001
local terms energy: -79.459510
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -214.027872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.027872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.027872 (E_RNA)
where:
Base-Base interactions energy: -132.865
where: short stacking energy: -70.528
Base-Backbone interact. energy: -0.001
local terms energy: -81.162050
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -201.820551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.820551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.820551 (E_RNA)
where:
Base-Base interactions energy: -128.291
where: short stacking energy: -72.664
Base-Backbone interact. energy: -0.055
local terms energy: -73.474511
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.989
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: 6, replica: 7
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -155.657673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.657673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.657673 (E_RNA)
where:
Base-Base interactions energy: -90.137
where: short stacking energy: -49.678
Base-Backbone interact. energy: -0.224
local terms energy: -65.296228
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -181.881648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.881648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.881648 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -60.158
Base-Backbone interact. energy: -0.061
local terms energy: -65.503389
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.489
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: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -102.519242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.519242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.519242 (E_RNA)
where:
Base-Base interactions energy: -46.675
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.007
local terms energy: -55.837113
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -6.908
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -8.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -97.475850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.475850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.475850 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -37.829
Base-Backbone interact. energy: -0.039
local terms energy: -59.607401
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -4.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -81.344831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.344831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.344831 (E_RNA)
where:
Base-Base interactions energy: -25.205
where: short stacking energy: -21.734
Base-Backbone interact. energy: -0.092
local terms energy: -56.047945
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -11.091
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: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -231.353306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.353306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.353306 (E_RNA)
where:
Base-Base interactions energy: -145.965
where: short stacking energy: -78.862
Base-Backbone interact. energy: -0.018
local terms energy: -85.369589
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -24.182
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: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -227.701533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.701533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.701533 (E_RNA)
where:
Base-Base interactions energy: -147.239
where: short stacking energy: -82.933
Base-Backbone interact. energy: -0.003
local terms energy: -80.460249
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -12.190
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: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -212.955443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.955443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.955443 (E_RNA)
where:
Base-Base interactions energy: -133.028
where: short stacking energy: -70.671
Base-Backbone interact. energy: -0.455
local terms energy: -79.472601
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -206.584445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.584445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.584445 (E_RNA)
where:
Base-Base interactions energy: -132.220
where: short stacking energy: -65.372
Base-Backbone interact. energy: 0.034
local terms energy: -74.398919
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.706
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: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -206.272907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.272907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.272907 (E_RNA)
where:
Base-Base interactions energy: -128.934
where: short stacking energy: -67.030
Base-Backbone interact. energy: 0.349
local terms energy: -77.687629
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -194.273563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.273563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.273563 (E_RNA)
where:
Base-Base interactions energy: -122.876
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.001
local terms energy: -71.396334
where:
bonds (distance) C4'-P energy: -5.589
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -12.929
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: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -143.710315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.710315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.710315 (E_RNA)
where:
Base-Base interactions energy: -88.740
where: short stacking energy: -43.380
Base-Backbone interact. energy: -0.219
local terms energy: -54.750681
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -9.710
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: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -103.830134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.830134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.830134 (E_RNA)
where:
Base-Base interactions energy: -44.399
where: short stacking energy: -39.201
Base-Backbone interact. energy: -0.027
local terms energy: -59.404100
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -81.941121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.941121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.941121 (E_RNA)
where:
Base-Base interactions energy: -28.051
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.186
local terms energy: -53.704171
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -12.917
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: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -81.242270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242270 (E_RNA)
where:
Base-Base interactions energy: -28.721
where: short stacking energy: -28.139
Base-Backbone interact. energy: -0.003
local terms energy: -52.518247
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -5.747
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -223.195284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.195284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.195284 (E_RNA)
where:
Base-Base interactions energy: -142.271
where: short stacking energy: -75.781
Base-Backbone interact. energy: -0.085
local terms energy: -80.838703
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -220.576990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.576990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.576990 (E_RNA)
where:
Base-Base interactions energy: -136.365
where: short stacking energy: -73.312
Base-Backbone interact. energy: -0.004
local terms energy: -84.208202
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -219.299828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.299828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.299828 (E_RNA)
where:
Base-Base interactions energy: -143.999
where: short stacking energy: -77.647
Base-Backbone interact. energy: -0.041
local terms energy: -75.260437
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -197.241696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.241696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.241696 (E_RNA)
where:
Base-Base interactions energy: -121.569
where: short stacking energy: -69.360
Base-Backbone interact. energy: -0.032
local terms energy: -75.639955
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -17.371
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: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -194.938099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.938099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.938099 (E_RNA)
where:
Base-Base interactions energy: -119.228
where: short stacking energy: -65.586
Base-Backbone interact. energy: -0.004
local terms energy: -75.706304
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -197.202482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.202482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.202482 (E_RNA)
where:
Base-Base interactions energy: -123.008
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.786
local terms energy: -73.408049
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -154.439640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.439640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.439640 (E_RNA)
where:
Base-Base interactions energy: -96.161
where: short stacking energy: -44.942
Base-Backbone interact. energy: -0.308
local terms energy: -57.970285
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -81.073520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073520 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -19.923
Base-Backbone interact. energy: 0.043
local terms energy: -48.840253
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: 0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -98.088257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.088257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.088257 (E_RNA)
where:
Base-Base interactions energy: -49.650
where: short stacking energy: -29.703
Base-Backbone interact. energy: -0.664
local terms energy: -47.774318
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -2.711
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -73.076340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.076340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.076340 (E_RNA)
where:
Base-Base interactions energy: -29.377
where: short stacking energy: -25.371
Base-Backbone interact. energy: -0.076
local terms energy: -43.623481
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -8.593
flat angles P-C4'-P energy: -8.281
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: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -222.712595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.712595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.712595 (E_RNA)
where:
Base-Base interactions energy: -143.401
where: short stacking energy: -80.737
Base-Backbone interact. energy: -0.002
local terms energy: -79.309174
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.728
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: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -225.638146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.638146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.638146 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -81.333
Base-Backbone interact. energy: -0.035
local terms energy: -78.184270
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -21.731
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: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -219.783033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.783033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.783033 (E_RNA)
where:
Base-Base interactions energy: -136.747
where: short stacking energy: -80.143
Base-Backbone interact. energy: -0.010
local terms energy: -83.026040
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -13.509
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: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -195.629349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.629349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.629349 (E_RNA)
where:
Base-Base interactions energy: -125.832
where: short stacking energy: -58.663
Base-Backbone interact. energy: 1.604
local terms energy: -71.401646
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -6.547
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: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -199.834153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.834153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.834153 (E_RNA)
where:
Base-Base interactions energy: -123.611
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.028
local terms energy: -76.194716
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -173.272079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.272079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.272079 (E_RNA)
where:
Base-Base interactions energy: -102.015
where: short stacking energy: -55.054
Base-Backbone interact. energy: -0.619
local terms energy: -70.637888
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -12.625
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: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -157.023372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.023372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.023372 (E_RNA)
where:
Base-Base interactions energy: -90.730
where: short stacking energy: -48.323
Base-Backbone interact. energy: -0.135
local terms energy: -66.158526
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -94.428327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.428327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.428327 (E_RNA)
where:
Base-Base interactions energy: -44.784
where: short stacking energy: -24.567
Base-Backbone interact. energy: -0.769
local terms energy: -48.875385
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -82.621421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.621421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.621421 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -27.861
Base-Backbone interact. energy: -0.397
local terms energy: -54.363459
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -4.349
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -95.732802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.732802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.732802 (E_RNA)
where:
Base-Base interactions energy: -44.369
where: short stacking energy: -22.654
Base-Backbone interact. energy: -0.311
local terms energy: -51.052777
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -225.543145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.543145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.543145 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -80.423
Base-Backbone interact. energy: -0.021
local terms energy: -84.623112
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -218.490744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.490744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.490744 (E_RNA)
where:
Base-Base interactions energy: -139.807
where: short stacking energy: -79.322
Base-Backbone interact. energy: -0.022
local terms energy: -78.661518
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -9.834
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: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -207.672439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.672439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.672439 (E_RNA)
where:
Base-Base interactions energy: -126.136
where: short stacking energy: -73.620
Base-Backbone interact. energy: -0.029
local terms energy: -81.506699
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -204.682938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.682938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.682938 (E_RNA)
where:
Base-Base interactions energy: -124.099
where: short stacking energy: -68.473
Base-Backbone interact. energy: -0.000
local terms energy: -80.583043
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -183.735439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.735439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.735439 (E_RNA)
where:
Base-Base interactions energy: -112.419
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.281
local terms energy: -71.035312
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -197.809060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.809060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.809060 (E_RNA)
where:
Base-Base interactions energy: -124.103
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.230
local terms energy: -73.475785
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -147.878198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.878198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.878198 (E_RNA)
where:
Base-Base interactions energy: -93.021
where: short stacking energy: -42.461
Base-Backbone interact. energy: -0.319
local terms energy: -54.538796
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -92.589570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.589570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.589570 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -36.295
Base-Backbone interact. energy: -0.318
local terms energy: -50.309473
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -7.148
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: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -93.155916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.155916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.155916 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -31.940
Base-Backbone interact. energy: -0.136
local terms energy: -54.867811
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -4.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -76.351787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.351787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.351787 (E_RNA)
where:
Base-Base interactions energy: -24.574
where: short stacking energy: -24.574
Base-Backbone interact. energy: 0.554
local terms energy: -52.331785
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -225.537137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.537137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.537137 (E_RNA)
where:
Base-Base interactions energy: -144.545
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.018
local terms energy: -80.974643
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -22.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -208.719420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.719420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.719420 (E_RNA)
where:
Base-Base interactions energy: -130.584
where: short stacking energy: -69.358
Base-Backbone interact. energy: -0.041
local terms energy: -78.093533
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -214.621836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.621836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.621836 (E_RNA)
where:
Base-Base interactions energy: -140.517
where: short stacking energy: -77.635
Base-Backbone interact. energy: -0.046
local terms energy: -74.058856
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -201.384021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.384021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.384021 (E_RNA)
where:
Base-Base interactions energy: -125.509
where: short stacking energy: -66.560
Base-Backbone interact. energy: -0.211
local terms energy: -75.663507
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -180.981003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.981003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.981003 (E_RNA)
where:
Base-Base interactions energy: -113.337
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.076
local terms energy: -67.567628
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -15.205
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: 155
Temperature: 1.150000
Total energy: -199.643988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.643988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.643988 (E_RNA)
where:
Base-Base interactions energy: -125.776
where: short stacking energy: -71.255
Base-Backbone interact. energy: -0.000
local terms energy: -73.867137
where:
bonds (distance) C4'-P energy: -3.911
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -23.593
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: 7, replica: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -144.046331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.046331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.046331 (E_RNA)
where:
Base-Base interactions energy: -82.535
where: short stacking energy: -48.957
Base-Backbone interact. energy: 1.341
local terms energy: -62.852991
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -86.996751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.996751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.996751 (E_RNA)
where:
Base-Base interactions energy: -37.060
where: short stacking energy: -36.537
Base-Backbone interact. energy: -0.145
local terms energy: -49.791297
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -88.160849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160849 (E_RNA)
where:
Base-Base interactions energy: -33.807
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.048
local terms energy: -54.305640
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -8.638
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -81.558461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.558461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.558461 (E_RNA)
where:
Base-Base interactions energy: -26.349
where: short stacking energy: -26.349
Base-Backbone interact. energy: -0.203
local terms energy: -55.006090
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: 1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -228.156844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.156844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.156844 (E_RNA)
where:
Base-Base interactions energy: -144.373
where: short stacking energy: -80.777
Base-Backbone interact. energy: -0.021
local terms energy: -83.763048
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -211.979016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.979016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.979016 (E_RNA)
where:
Base-Base interactions energy: -135.954
where: short stacking energy: -66.061
Base-Backbone interact. energy: 0.511
local terms energy: -76.535980
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -17.610
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: 156
Temperature: 1.000000
Total energy: -220.089560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.089560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.089560 (E_RNA)
where:
Base-Base interactions energy: -139.803
where: short stacking energy: -71.193
Base-Backbone interact. energy: -0.634
local terms energy: -79.652294
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -22.405
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: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -216.207949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.207949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.207949 (E_RNA)
where:
Base-Base interactions energy: -135.434
where: short stacking energy: -72.519
Base-Backbone interact. energy: -0.156
local terms energy: -80.618098
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -188.635330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.635330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.635330 (E_RNA)
where:
Base-Base interactions energy: -116.872
where: short stacking energy: -62.142
Base-Backbone interact. energy: -0.036
local terms energy: -71.727410
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -180.160754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.160754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.160754 (E_RNA)
where:
Base-Base interactions energy: -110.385
where: short stacking energy: -64.493
Base-Backbone interact. energy: -0.003
local terms energy: -69.772628
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -155.632621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.632621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.632621 (E_RNA)
where:
Base-Base interactions energy: -97.207
where: short stacking energy: -48.602
Base-Backbone interact. energy: -0.231
local terms energy: -58.194702
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -95.699801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.699801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.699801 (E_RNA)
where:
Base-Base interactions energy: -40.039
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.049
local terms energy: -55.612579
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -95.754249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.754249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.754249 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.120
local terms energy: -62.215639
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -4.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -96.765633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.765633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.765633 (E_RNA)
where:
Base-Base interactions energy: -40.226
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.056
local terms energy: -56.483504
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -7.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -225.263619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.263619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.263619 (E_RNA)
where:
Base-Base interactions energy: -142.113
where: short stacking energy: -79.424
Base-Backbone interact. energy: -0.002
local terms energy: -83.149155
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -217.615456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.615456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.615456 (E_RNA)
where:
Base-Base interactions energy: -143.876
where: short stacking energy: -74.922
Base-Backbone interact. energy: 1.254
local terms energy: -74.993589
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -22.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -218.033084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.033084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.033084 (E_RNA)
where:
Base-Base interactions energy: -136.293
where: short stacking energy: -75.670
Base-Backbone interact. energy: 0.206
local terms energy: -81.946711
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -9.673
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: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -216.657333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.657333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.657333 (E_RNA)
where:
Base-Base interactions energy: -136.390
where: short stacking energy: -72.172
Base-Backbone interact. energy: -0.002
local terms energy: -80.265186
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -206.315968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.315968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.315968 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.080
local terms energy: -80.090913
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -21.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -170.261412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.261412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.261412 (E_RNA)
where:
Base-Base interactions energy: -108.607
where: short stacking energy: -48.654
Base-Backbone interact. energy: -0.711
local terms energy: -60.943244
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -203.982827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.982827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.982827 (E_RNA)
where:
Base-Base interactions energy: -129.783
where: short stacking energy: -66.778
Base-Backbone interact. energy: -0.176
local terms energy: -74.024178
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -96.319895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.319895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.319895 (E_RNA)
where:
Base-Base interactions energy: -39.715
where: short stacking energy: -39.715
Base-Backbone interact. energy: 0.637
local terms energy: -57.242277
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -84.591592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.591592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.591592 (E_RNA)
where:
Base-Base interactions energy: -32.087
where: short stacking energy: -32.087
Base-Backbone interact. energy: -0.285
local terms energy: -52.219508
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -3.287
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: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -104.764739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.764739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.764739 (E_RNA)
where:
Base-Base interactions energy: -37.080
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.001
local terms energy: -67.684093
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -229.457826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.457826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.457826 (E_RNA)
where:
Base-Base interactions energy: -145.432
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.009
local terms energy: -84.016609
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.785
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: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -221.596769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.596769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.596769 (E_RNA)
where:
Base-Base interactions energy: -141.463
where: short stacking energy: -79.041
Base-Backbone interact. energy: -0.263
local terms energy: -79.871323
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -224.987103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.987103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.987103 (E_RNA)
where:
Base-Base interactions energy: -140.388
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.003
local terms energy: -84.596028
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -215.722326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.722326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.722326 (E_RNA)
where:
Base-Base interactions energy: -129.387
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.414
local terms energy: -85.920416
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -210.709244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.709244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.709244 (E_RNA)
where:
Base-Base interactions energy: -133.899
where: short stacking energy: -70.554
Base-Backbone interact. energy: -0.052
local terms energy: -76.758257
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.154
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: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -191.464522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.464522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.464522 (E_RNA)
where:
Base-Base interactions energy: -121.966
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.131
local terms energy: -69.368239
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -179.076069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.076069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.076069 (E_RNA)
where:
Base-Base interactions energy: -117.059
where: short stacking energy: -61.862
Base-Backbone interact. energy: -0.046
local terms energy: -61.971319
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -8.431
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -90.704628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.704628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.704628 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -39.848
Base-Backbone interact. energy: -0.102
local terms energy: -50.754536
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -80.804661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.804661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.804661 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -20.991
Base-Backbone interact. energy: 0.158
local terms energy: -45.189572
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: 4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -81.525992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525992 (E_RNA)
where:
Base-Base interactions energy: -28.789
where: short stacking energy: -28.789
Base-Backbone interact. energy: -0.039
local terms energy: -52.697498
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -5.593
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: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -228.114358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.114358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.114358 (E_RNA)
where:
Base-Base interactions energy: -146.835
where: short stacking energy: -68.965
Base-Backbone interact. energy: -0.244
local terms energy: -81.035887
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -12.459
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -228.973538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.973538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.973538 (E_RNA)
where:
Base-Base interactions energy: -142.358
where: short stacking energy: -76.180
Base-Backbone interact. energy: -0.037
local terms energy: -86.578552
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -23.220
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: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -212.441079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.441079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.441079 (E_RNA)
where:
Base-Base interactions energy: -137.445
where: short stacking energy: -76.508
Base-Backbone interact. energy: -0.033
local terms energy: -74.962803
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -20.481
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: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -217.032386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.032386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.032386 (E_RNA)
where:
Base-Base interactions energy: -133.613
where: short stacking energy: -78.083
Base-Backbone interact. energy: -0.011
local terms energy: -83.408612
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -207.133130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.133130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.133130 (E_RNA)
where:
Base-Base interactions energy: -126.185
where: short stacking energy: -75.022
Base-Backbone interact. energy: -0.018
local terms energy: -80.929589
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -24.524
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -192.172184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.172184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.172184 (E_RNA)
where:
Base-Base interactions energy: -129.028
where: short stacking energy: -67.012
Base-Backbone interact. energy: -0.072
local terms energy: -63.072182
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -13.430
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -182.895737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.895737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.895737 (E_RNA)
where:
Base-Base interactions energy: -116.729
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.308
local terms energy: -65.858429
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -108.843980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.843980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.843980 (E_RNA)
where:
Base-Base interactions energy: -48.081
where: short stacking energy: -48.081
Base-Backbone interact. energy: -0.009
local terms energy: -60.753929
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -10.691
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: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -89.503508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.503508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.503508 (E_RNA)
where:
Base-Base interactions energy: -38.543
where: short stacking energy: -31.688
Base-Backbone interact. energy: -0.219
local terms energy: -50.741671
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -76.401427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.401427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.401427 (E_RNA)
where:
Base-Base interactions energy: -42.289
where: short stacking energy: -15.490
Base-Backbone interact. energy: -0.501
local terms energy: -33.611581
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: 3.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -215.684028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.684028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.684028 (E_RNA)
where:
Base-Base interactions energy: -134.390
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.007
local terms energy: -81.287423
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -219.586481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.586481 (E_RNA)
where:
Base-Base interactions energy: -140.287
where: short stacking energy: -77.713
Base-Backbone interact. energy: -0.490
local terms energy: -78.809282
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -213.893712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893712 (E_RNA)
where:
Base-Base interactions energy: -138.786
where: short stacking energy: -77.546
Base-Backbone interact. energy: -0.133
local terms energy: -74.974400
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -21.376
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: 160
Temperature: 1.050000
Total energy: -208.923490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.923490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.923490 (E_RNA)
where:
Base-Base interactions energy: -133.868
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.008
local terms energy: -75.047775
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -19.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -207.802774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.802774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.802774 (E_RNA)
where:
Base-Base interactions energy: -134.507
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.059
local terms energy: -73.236903
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -196.658814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.658814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.658814 (E_RNA)
where:
Base-Base interactions energy: -123.019
where: short stacking energy: -68.190
Base-Backbone interact. energy: -0.488
local terms energy: -73.152041
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -17.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -175.417463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.417463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.417463 (E_RNA)
where:
Base-Base interactions energy: -106.460
where: short stacking energy: -56.394
Base-Backbone interact. energy: -0.001
local terms energy: -68.956671
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -9.530
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: 8, replica: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -83.048660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.048660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.048660 (E_RNA)
where:
Base-Base interactions energy: -24.726
where: short stacking energy: -23.702
Base-Backbone interact. energy: 1.367
local terms energy: -59.689918
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -7.915
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -7.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -87.079660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079660 (E_RNA)
where:
Base-Base interactions energy: -29.338
where: short stacking energy: -29.338
Base-Backbone interact. energy: -0.025
local terms energy: -57.715999
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -12.435
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: 10, replica: 9
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -84.716326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.716326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.716326 (E_RNA)
where:
Base-Base interactions energy: -36.720
where: short stacking energy: -22.636
Base-Backbone interact. energy: -0.555
local terms energy: -47.441222
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -8.016
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: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -227.218736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.218736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.218736 (E_RNA)
where:
Base-Base interactions energy: -144.041
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.019
local terms energy: -83.158492
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -23.790
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: 1
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -208.753091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.753091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.753091 (E_RNA)
where:
Base-Base interactions energy: -129.475
where: short stacking energy: -70.080
Base-Backbone interact. energy: -0.089
local terms energy: -79.188835
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -217.626135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.626135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.626135 (E_RNA)
where:
Base-Base interactions energy: -136.891
where: short stacking energy: -72.143
Base-Backbone interact. energy: -0.008
local terms energy: -80.726939
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -214.546804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.546804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.546804 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -79.029
Base-Backbone interact. energy: -0.017
local terms energy: -77.207357
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -10.477
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: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -192.559255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.559255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.559255 (E_RNA)
where:
Base-Base interactions energy: -122.522
where: short stacking energy: -58.108
Base-Backbone interact. energy: -0.145
local terms energy: -69.892382
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -13.543
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -201.688160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.688160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.688160 (E_RNA)
where:
Base-Base interactions energy: -132.077
where: short stacking energy: -73.340
Base-Backbone interact. energy: -0.000
local terms energy: -69.610909
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -18.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -181.085603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.085603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.085603 (E_RNA)
where:
Base-Base interactions energy: -115.623
where: short stacking energy: -61.043
Base-Backbone interact. energy: 0.108
local terms energy: -65.570329
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -14.883
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: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -92.063208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.063208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.063208 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -36.093
Base-Backbone interact. energy: -0.057
local terms energy: -55.914125
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -8.121
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: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -85.191783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.191783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.191783 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -22.375
Base-Backbone interact. energy: -0.098
local terms energy: -44.958845
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -83.835228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.835228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.835228 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -21.910
Base-Backbone interact. energy: 1.435
local terms energy: -53.523781
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -2.737
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -218.826681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.826681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.826681 (E_RNA)
where:
Base-Base interactions energy: -140.351
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.053
local terms energy: -78.422695
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -12.933
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: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -215.982250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.982250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.982250 (E_RNA)
where:
Base-Base interactions energy: -133.180
where: short stacking energy: -68.620
Base-Backbone interact. energy: -0.100
local terms energy: -82.701830
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -210.101226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.101226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.101226 (E_RNA)
where:
Base-Base interactions energy: -127.940
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.051
local terms energy: -82.109449
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -13.216
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: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -200.979883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.979883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.979883 (E_RNA)
where:
Base-Base interactions energy: -125.302
where: short stacking energy: -67.952
Base-Backbone interact. energy: -0.183
local terms energy: -75.494790
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -210.837518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.837518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.837518 (E_RNA)
where:
Base-Base interactions energy: -134.724
where: short stacking energy: -70.261
Base-Backbone interact. energy: -0.142
local terms energy: -75.971440
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -192.320687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.320687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.320687 (E_RNA)
where:
Base-Base interactions energy: -124.467
where: short stacking energy: -62.762
Base-Backbone interact. energy: -0.025
local terms energy: -67.828817
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -9.151
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: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -187.168074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.168074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.168074 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -50.394
Base-Backbone interact. energy: -0.035
local terms energy: -72.377646
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -97.626161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.626161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.626161 (E_RNA)
where:
Base-Base interactions energy: -39.090
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.003
local terms energy: -58.533252
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -90.175444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.175444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.175444 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.098
local terms energy: -52.130643
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -6.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -75.709311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.709311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.709311 (E_RNA)
where:
Base-Base interactions energy: -20.066
where: short stacking energy: -20.066
Base-Backbone interact. energy: 0.091
local terms energy: -55.733828
where:
bonds (distance) C4'-P energy: -8.772
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -230.081939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.081939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.081939 (E_RNA)
where:
Base-Base interactions energy: -144.773
where: short stacking energy: -77.735
Base-Backbone interact. energy: -0.146
local terms energy: -85.163042
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -223.886069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.886069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.886069 (E_RNA)
where:
Base-Base interactions energy: -139.848
where: short stacking energy: -73.534
Base-Backbone interact. energy: -0.019
local terms energy: -84.018656
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -23.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -200.572540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.572540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.572540 (E_RNA)
where:
Base-Base interactions energy: -125.031
where: short stacking energy: -59.096
Base-Backbone interact. energy: 0.319
local terms energy: -75.861017
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -207.428361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.428361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.428361 (E_RNA)
where:
Base-Base interactions energy: -132.444
where: short stacking energy: -72.890
Base-Backbone interact. energy: -0.169
local terms energy: -74.815561
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -18.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -203.291279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.291279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.291279 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.186
local terms energy: -73.415942
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -184.362397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.362397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.362397 (E_RNA)
where:
Base-Base interactions energy: -107.601
where: short stacking energy: -53.377
Base-Backbone interact. energy: -0.039
local terms energy: -76.722213
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -191.700510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.700510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.700510 (E_RNA)
where:
Base-Base interactions energy: -116.052
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.024
local terms energy: -75.624775
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -85.833439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.833439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.833439 (E_RNA)
where:
Base-Base interactions energy: -39.945
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.372
local terms energy: -45.516125
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -5.194
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -80.917156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.917156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.917156 (E_RNA)
where:
Base-Base interactions energy: -35.509
where: short stacking energy: -35.509
Base-Backbone interact. energy: -0.290
local terms energy: -45.117823
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -7.572
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -6.847
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: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -77.024193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.024193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.024193 (E_RNA)
where:
Base-Base interactions energy: -28.854
where: short stacking energy: -28.854
Base-Backbone interact. energy: -0.957
local terms energy: -47.213133
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -222.880455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.880455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.880455 (E_RNA)
where:
Base-Base interactions energy: -144.810
where: short stacking energy: -79.264
Base-Backbone interact. energy: -0.045
local terms energy: -78.025291
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -18.710
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: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -223.301785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.301785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.301785 (E_RNA)
where:
Base-Base interactions energy: -144.133
where: short stacking energy: -77.178
Base-Backbone interact. energy: -0.004
local terms energy: -79.164967
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -217.760680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.760680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.760680 (E_RNA)
where:
Base-Base interactions energy: -140.743
where: short stacking energy: -80.549
Base-Backbone interact. energy: -0.014
local terms energy: -77.003179
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -23.416
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: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -198.905099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.905099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.905099 (E_RNA)
where:
Base-Base interactions energy: -118.003
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.088
local terms energy: -80.813862
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -173.148713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.148713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.148713 (E_RNA)
where:
Base-Base interactions energy: -108.725
where: short stacking energy: -61.709
Base-Backbone interact. energy: -0.103
local terms energy: -64.320221
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -201.793659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.793659 (E_RNA)
where:
Base-Base interactions energy: -127.587
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.010
local terms energy: -74.196889
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.587
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: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -177.546598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.546598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.546598 (E_RNA)
where:
Base-Base interactions energy: -111.649
where: short stacking energy: -48.871
Base-Backbone interact. energy: -0.013
local terms energy: -65.884292
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -12.455
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: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -106.648590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.648590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.648590 (E_RNA)
where:
Base-Base interactions energy: -46.991
where: short stacking energy: -30.588
Base-Backbone interact. energy: -0.104
local terms energy: -59.552990
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -6.039
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: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -105.047351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.047351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.047351 (E_RNA)
where:
Base-Base interactions energy: -46.792
where: short stacking energy: -39.347
Base-Backbone interact. energy: -0.113
local terms energy: -58.141798
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -79.192621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.192621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.192621 (E_RNA)
where:
Base-Base interactions energy: -33.898
where: short stacking energy: -23.987
Base-Backbone interact. energy: -0.276
local terms energy: -45.018140
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -233.193889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.193889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.193889 (E_RNA)
where:
Base-Base interactions energy: -148.876
where: short stacking energy: -83.325
Base-Backbone interact. energy: -0.004
local terms energy: -84.314213
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -23.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -226.439746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.439746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.439746 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -83.487
Base-Backbone interact. energy: -0.281
local terms energy: -78.943118
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.722
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: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -215.014878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.014878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.014878 (E_RNA)
where:
Base-Base interactions energy: -138.399
where: short stacking energy: -76.045
Base-Backbone interact. energy: -0.264
local terms energy: -76.352589
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -11.586
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: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -218.323269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.323269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.323269 (E_RNA)
where:
Base-Base interactions energy: -141.726
where: short stacking energy: -74.881
Base-Backbone interact. energy: -0.046
local terms energy: -76.550982
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -208.474881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.474881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474881 (E_RNA)
where:
Base-Base interactions energy: -133.031
where: short stacking energy: -62.644
Base-Backbone interact. energy: -0.025
local terms energy: -75.418617
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -20.438
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: 4
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -188.535622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.535622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.535622 (E_RNA)
where:
Base-Base interactions energy: -122.507
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.015
local terms energy: -66.013211
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -199.763531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.763531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.763531 (E_RNA)
where:
Base-Base interactions energy: -125.806
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.004
local terms energy: -73.953566
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -22.289
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: 8, replica: 8
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -90.966468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.966468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.966468 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.161
local terms energy: -54.807889
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -90.055725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.055725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.055725 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -27.006
Base-Backbone interact. energy: -0.313
local terms energy: -57.448570
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -79.275457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.275457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.275457 (E_RNA)
where:
Base-Base interactions energy: -33.408
where: short stacking energy: -27.365
Base-Backbone interact. energy: -0.219
local terms energy: -45.648413
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -1.773
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: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -219.187385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.187385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.187385 (E_RNA)
where:
Base-Base interactions energy: -140.160
where: short stacking energy: -77.439
Base-Backbone interact. energy: -0.079
local terms energy: -78.948370
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -25.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -225.548801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.548801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.548801 (E_RNA)
where:
Base-Base interactions energy: -144.819
where: short stacking energy: -82.056
Base-Backbone interact. energy: -0.003
local terms energy: -80.726840
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -23.518
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: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -212.191017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.191017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.191017 (E_RNA)
where:
Base-Base interactions energy: -133.584
where: short stacking energy: -74.649
Base-Backbone interact. energy: 0.557
local terms energy: -79.164004
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -206.477048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.477048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.477048 (E_RNA)
where:
Base-Base interactions energy: -130.361
where: short stacking energy: -74.435
Base-Backbone interact. energy: -0.079
local terms energy: -76.037875
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -186.575213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.575213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.575213 (E_RNA)
where:
Base-Base interactions energy: -116.731
where: short stacking energy: -61.835
Base-Backbone interact. energy: -0.052
local terms energy: -69.792501
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -14.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -194.411164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.411164 (E_RNA)
where:
Base-Base interactions energy: -126.845
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.095
local terms energy: -67.470994
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.775
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: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -195.129681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.129681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.129681 (E_RNA)
where:
Base-Base interactions energy: -123.663
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.041
local terms energy: -71.425655
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -81.864649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.864649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.864649 (E_RNA)
where:
Base-Base interactions energy: -31.172
where: short stacking energy: -31.172
Base-Backbone interact. energy: -0.078
local terms energy: -50.614294
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -90.029831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.029831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.029831 (E_RNA)
where:
Base-Base interactions energy: -33.426
where: short stacking energy: -33.426
Base-Backbone interact. energy: -0.110
local terms energy: -56.493539
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -0.695
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: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -85.782672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.782672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.782672 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -33.570
Base-Backbone interact. energy: -0.024
local terms energy: -51.249309
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -8.297
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: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -227.346859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.346859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.346859 (E_RNA)
where:
Base-Base interactions energy: -142.641
where: short stacking energy: -77.817
Base-Backbone interact. energy: -0.000
local terms energy: -84.705291
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -221.244915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.244915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.244915 (E_RNA)
where:
Base-Base interactions energy: -136.114
where: short stacking energy: -73.505
Base-Backbone interact. energy: -0.608
local terms energy: -84.523267
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -14.695
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: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -217.354559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.354559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.354559 (E_RNA)
where:
Base-Base interactions energy: -139.938
where: short stacking energy: -77.993
Base-Backbone interact. energy: -0.056
local terms energy: -77.360803
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -11.376
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: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -225.595319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.595319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.595319 (E_RNA)
where:
Base-Base interactions energy: -139.916
where: short stacking energy: -78.762
Base-Backbone interact. energy: -0.000
local terms energy: -85.679288
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -24.597
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: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -186.864937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.864937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.864937 (E_RNA)
where:
Base-Base interactions energy: -108.086
where: short stacking energy: -58.940
Base-Backbone interact. energy: -0.070
local terms energy: -78.709233
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -182.174352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.174352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.174352 (E_RNA)
where:
Base-Base interactions energy: -108.562
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.843
local terms energy: -72.768986
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -187.599770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.599770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.599770 (E_RNA)
where:
Base-Base interactions energy: -114.576
where: short stacking energy: -49.654
Base-Backbone interact. energy: 2.439
local terms energy: -75.463104
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -9.150
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: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -105.902172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.902172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.902172 (E_RNA)
where:
Base-Base interactions energy: -52.029
where: short stacking energy: -52.029
Base-Backbone interact. energy: 1.050
local terms energy: -54.922709
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -6.642
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: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -98.805241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.805241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.805241 (E_RNA)
where:
Base-Base interactions energy: -40.827
where: short stacking energy: -40.827
Base-Backbone interact. energy: -0.220
local terms energy: -57.758277
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -92.602322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.602322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.602322 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.120
local terms energy: -61.063861
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -232.100704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.100704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.100704 (E_RNA)
where:
Base-Base interactions energy: -142.669
where: short stacking energy: -74.403
Base-Backbone interact. energy: -0.124
local terms energy: -89.307809
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -218.014536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.014536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.014536 (E_RNA)
where:
Base-Base interactions energy: -139.641
where: short stacking energy: -75.704
Base-Backbone interact. energy: -0.000
local terms energy: -78.373158
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -220.555046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.555046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.555046 (E_RNA)
where:
Base-Base interactions energy: -141.978
where: short stacking energy: -80.881
Base-Backbone interact. energy: -0.032
local terms energy: -78.544215
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -214.292744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.292744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.292744 (E_RNA)
where:
Base-Base interactions energy: -132.171
where: short stacking energy: -68.874
Base-Backbone interact. energy: -0.091
local terms energy: -82.030863
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -11.408
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: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -189.359600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.359600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.359600 (E_RNA)
where:
Base-Base interactions energy: -116.154
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.454
local terms energy: -72.751621
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -186.419974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.419974 (E_RNA)
where:
Base-Base interactions energy: -114.625
where: short stacking energy: -65.472
Base-Backbone interact. energy: -0.013
local terms energy: -71.781715
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -191.605437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.605437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.605437 (E_RNA)
where:
Base-Base interactions energy: -127.030
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.168
local terms energy: -64.407407
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -12.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -96.408843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.408843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.408843 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -34.813
Base-Backbone interact. energy: -0.120
local terms energy: -61.475329
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -5.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -84.427544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427544 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.262
local terms energy: -55.393619
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -76.844191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.844191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.844191 (E_RNA)
where:
Base-Base interactions energy: -25.463
where: short stacking energy: -26.063
Base-Backbone interact. energy: -1.557
local terms energy: -49.823985
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -224.213689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.213689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.213689 (E_RNA)
where:
Base-Base interactions energy: -141.562
where: short stacking energy: -79.200
Base-Backbone interact. energy: -0.004
local terms energy: -82.647725
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -226.755614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.755614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.755614 (E_RNA)
where:
Base-Base interactions energy: -147.071
where: short stacking energy: -84.045
Base-Backbone interact. energy: -0.141
local terms energy: -79.544102
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -24.311
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: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -205.977300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.977300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.977300 (E_RNA)
where:
Base-Base interactions energy: -125.769
where: short stacking energy: -71.096
Base-Backbone interact. energy: -0.721
local terms energy: -79.487023
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -203.702959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.702959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.702959 (E_RNA)
where:
Base-Base interactions energy: -127.092
where: short stacking energy: -69.941
Base-Backbone interact. energy: -0.154
local terms energy: -76.457198
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -206.485421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.485421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.485421 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.132
local terms energy: -75.826268
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -21.420
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: 169
Temperature: 1.150000
Total energy: -195.094719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094719 (E_RNA)
where:
Base-Base interactions energy: -127.195
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.423
local terms energy: -67.477194
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -189.572547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.572547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.572547 (E_RNA)
where:
Base-Base interactions energy: -127.375
where: short stacking energy: -66.026
Base-Backbone interact. energy: -0.216
local terms energy: -61.980963
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -94.323178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.323178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.323178 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -32.738
Base-Backbone interact. energy: -0.153
local terms energy: -61.432109
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -6.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -84.582583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.582583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.582583 (E_RNA)
where:
Base-Base interactions energy: -32.565
where: short stacking energy: -32.565
Base-Backbone interact. energy: -0.003
local terms energy: -52.014392
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -93.965720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.965720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.965720 (E_RNA)
where:
Base-Base interactions energy: -37.723
where: short stacking energy: -23.430
Base-Backbone interact. energy: -0.282
local terms energy: -55.961293
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -6.932
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: 3
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -231.815969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.815969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.815969 (E_RNA)
where:
Base-Base interactions energy: -147.890
where: short stacking energy: -83.237
Base-Backbone interact. energy: -0.010
local terms energy: -83.916036
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -23.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -230.759605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.759605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.759605 (E_RNA)
where:
Base-Base interactions energy: -142.832
where: short stacking energy: -80.157
Base-Backbone interact. energy: -0.012
local terms energy: -87.915671
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -23.986
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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -197.054952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.054952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.054952 (E_RNA)
where:
Base-Base interactions energy: -128.769
where: short stacking energy: -57.492
Base-Backbone interact. energy: -1.229
local terms energy: -67.056626
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.271
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: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -202.622069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.622069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.622069 (E_RNA)
where:
Base-Base interactions energy: -128.044
where: short stacking energy: -64.236
Base-Backbone interact. energy: 0.875
local terms energy: -75.453816
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -13.959
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -181.262842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.262842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.262842 (E_RNA)
where:
Base-Base interactions energy: -109.512
where: short stacking energy: -55.533
Base-Backbone interact. energy: -0.031
local terms energy: -71.719784
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -179.239226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.239226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.239226 (E_RNA)
where:
Base-Base interactions energy: -115.503
where: short stacking energy: -60.129
Base-Backbone interact. energy: -0.012
local terms energy: -63.724470
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -186.330263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.330263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.330263 (E_RNA)
where:
Base-Base interactions energy: -115.851
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.002
local terms energy: -70.477443
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -90.526563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.526563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.526563 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -35.153
Base-Backbone interact. energy: 1.022
local terms energy: -52.141187
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -8.558
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: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -93.717290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.717290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.717290 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.032
local terms energy: -58.327223
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -10.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -90.314211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.314211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.314211 (E_RNA)
where:
Base-Base interactions energy: -33.535
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.458
local terms energy: -56.321096
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -2.255
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -228.442077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.442077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.442077 (E_RNA)
where:
Base-Base interactions energy: -150.474
where: short stacking energy: -83.008
Base-Backbone interact. energy: -0.044
local terms energy: -77.924228
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -23.179
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -229.331187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.331187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.331187 (E_RNA)
where:
Base-Base interactions energy: -146.349
where: short stacking energy: -81.878
Base-Backbone interact. energy: -0.008
local terms energy: -82.974514
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -25.271
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: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -202.925881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.925881 (E_RNA)
where:
Base-Base interactions energy: -126.956
where: short stacking energy: -68.077
Base-Backbone interact. energy: -0.101
local terms energy: -75.869281
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -213.647356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.647356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.647356 (E_RNA)
where:
Base-Base interactions energy: -138.641
where: short stacking energy: -70.296
Base-Backbone interact. energy: -0.001
local terms energy: -75.005796
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.868
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: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -209.465777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.465777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.465777 (E_RNA)
where:
Base-Base interactions energy: -135.193
where: short stacking energy: -73.937
Base-Backbone interact. energy: -0.044
local terms energy: -74.228803
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -157.425909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.425909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.425909 (E_RNA)
where:
Base-Base interactions energy: -90.070
where: short stacking energy: -55.219
Base-Backbone interact. energy: -0.096
local terms energy: -67.259600
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -10.881
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: 171
Temperature: 1.200000
Total energy: -190.250246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.250246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.250246 (E_RNA)
where:
Base-Base interactions energy: -120.125
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.002
local terms energy: -70.122954
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -94.798168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.798168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.798168 (E_RNA)
where:
Base-Base interactions energy: -43.257
where: short stacking energy: -42.088
Base-Backbone interact. energy: -0.097
local terms energy: -51.444224
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -95.919124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.919124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.919124 (E_RNA)
where:
Base-Base interactions energy: -34.256
where: short stacking energy: -29.610
Base-Backbone interact. energy: -0.008
local terms energy: -61.654906
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -74.990404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.990404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.990404 (E_RNA)
where:
Base-Base interactions energy: -23.457
where: short stacking energy: -19.375
Base-Backbone interact. energy: -0.325
local terms energy: -51.208822
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -3.956
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: 1, replica: 3
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -228.839346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.839346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.839346 (E_RNA)
where:
Base-Base interactions energy: -143.535
where: short stacking energy: -80.521
Base-Backbone interact. energy: -0.061
local terms energy: -85.243544
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -10.280
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: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -225.043764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.043764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.043764 (E_RNA)
where:
Base-Base interactions energy: -142.111
where: short stacking energy: -84.054
Base-Backbone interact. energy: -0.027
local terms energy: -82.905694
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -23.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -219.647943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.647943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.647943 (E_RNA)
where:
Base-Base interactions energy: -139.075
where: short stacking energy: -77.809
Base-Backbone interact. energy: -0.132
local terms energy: -80.440658
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -11.720
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: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -200.734463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.734463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.734463 (E_RNA)
where:
Base-Base interactions energy: -124.083
where: short stacking energy: -70.021
Base-Backbone interact. energy: -0.141
local terms energy: -76.510494
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -211.384091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.384091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.384091 (E_RNA)
where:
Base-Base interactions energy: -131.930
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.005
local terms energy: -79.448307
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -173.558252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.558252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.558252 (E_RNA)
where:
Base-Base interactions energy: -103.123
where: short stacking energy: -61.188
Base-Backbone interact. energy: -0.151
local terms energy: -70.284674
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -185.581528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.581528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.581528 (E_RNA)
where:
Base-Base interactions energy: -112.334
where: short stacking energy: -51.184
Base-Backbone interact. energy: -0.187
local terms energy: -73.060264
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -108.546311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.546311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.546311 (E_RNA)
where:
Base-Base interactions energy: -38.833
where: short stacking energy: -34.912
Base-Backbone interact. energy: -0.468
local terms energy: -69.244905
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -83.483772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.483772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.483772 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -31.204
Base-Backbone interact. energy: 0.612
local terms energy: -45.542635
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -79.961280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.961280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.961280 (E_RNA)
where:
Base-Base interactions energy: -18.596
where: short stacking energy: -18.596
Base-Backbone interact. energy: -0.041
local terms energy: -61.324293
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -233.898034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.898034 (E_RNA)
where:
Base-Base interactions energy: -154.498
where: short stacking energy: -82.521
Base-Backbone interact. energy: -0.061
local terms energy: -79.339324
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -10.151
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: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -229.653750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.653750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.653750 (E_RNA)
where:
Base-Base interactions energy: -148.749
where: short stacking energy: -79.105
Base-Backbone interact. energy: 0.110
local terms energy: -81.014542
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -22.877
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: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -227.079217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.079217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.079217 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -84.138
Base-Backbone interact. energy: -0.001
local terms energy: -83.557050
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -22.309
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: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -212.409461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.409461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.409461 (E_RNA)
where:
Base-Base interactions energy: -136.268
where: short stacking energy: -78.020
Base-Backbone interact. energy: -0.023
local terms energy: -76.117533
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.895
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: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -179.756487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.756487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.756487 (E_RNA)
where:
Base-Base interactions energy: -113.871
where: short stacking energy: -50.524
Base-Backbone interact. energy: -0.259
local terms energy: -65.626358
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -12.577
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -184.098612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.098612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.098612 (E_RNA)
where:
Base-Base interactions energy: -114.290
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.015
local terms energy: -69.793528
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -9.731
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: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -147.274734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.274734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.274734 (E_RNA)
where:
Base-Base interactions energy: -87.025
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.013
local terms energy: -60.236225
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -92.401506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401506 (E_RNA)
where:
Base-Base interactions energy: -37.777
where: short stacking energy: -37.777
Base-Backbone interact. energy: -0.329
local terms energy: -54.294776
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -94.742112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.742112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.742112 (E_RNA)
where:
Base-Base interactions energy: -40.711
where: short stacking energy: -32.011
Base-Backbone interact. energy: -0.129
local terms energy: -53.902273
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -5.165
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: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -85.691367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.691367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.691367 (E_RNA)
where:
Base-Base interactions energy: -24.326
where: short stacking energy: -24.426
Base-Backbone interact. energy: -0.062
local terms energy: -61.303248
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -215.569550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.569550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.569550 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -71.337
Base-Backbone interact. energy: -0.002
local terms energy: -80.972066
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -9.969
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: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -224.656565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656565 (E_RNA)
where:
Base-Base interactions energy: -139.495
where: short stacking energy: -83.236
Base-Backbone interact. energy: -0.052
local terms energy: -85.109464
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.420
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: 174
Temperature: 1.000000
Total energy: -212.515321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.515321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.515321 (E_RNA)
where:
Base-Base interactions energy: -132.549
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.515
local terms energy: -79.451716
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -22.241
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: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -219.065077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.065077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.065077 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -80.035
Base-Backbone interact. energy: -0.009
local terms energy: -82.999378
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -24.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -199.327973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.327973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.327973 (E_RNA)
where:
Base-Base interactions energy: -126.821
where: short stacking energy: -66.782
Base-Backbone interact. energy: -0.178
local terms energy: -72.328439
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -177.859264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.859264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.859264 (E_RNA)
where:
Base-Base interactions energy: -110.923
where: short stacking energy: -51.160
Base-Backbone interact. energy: 3.748
local terms energy: -70.684808
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -99.917422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.917422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.917422 (E_RNA)
where:
Base-Base interactions energy: -44.635
where: short stacking energy: -44.635
Base-Backbone interact. energy: -0.109
local terms energy: -55.173171
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.322
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: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -145.981771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.981771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.981771 (E_RNA)
where:
Base-Base interactions energy: -85.104
where: short stacking energy: -43.462
Base-Backbone interact. energy: -0.027
local terms energy: -60.850047
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -90.498964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.498964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.498964 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -32.057
Base-Backbone interact. energy: -0.064
local terms energy: -58.378401
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -91.394330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.394330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.394330 (E_RNA)
where:
Base-Base interactions energy: -37.540
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.379
local terms energy: -53.475832
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -227.598843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.598843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.598843 (E_RNA)
where:
Base-Base interactions energy: -148.499
where: short stacking energy: -81.492
Base-Backbone interact. energy: -0.066
local terms energy: -79.033132
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -12.045
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: 2, replica: 4
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -220.077145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077145 (E_RNA)
where:
Base-Base interactions energy: -138.729
where: short stacking energy: -78.527
Base-Backbone interact. energy: -0.250
local terms energy: -81.098635
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -216.850258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.850258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.850258 (E_RNA)
where:
Base-Base interactions energy: -133.113
where: short stacking energy: -75.200
Base-Backbone interact. energy: -0.004
local terms energy: -83.733249
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -23.283
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: 7
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -223.357202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.357202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.357202 (E_RNA)
where:
Base-Base interactions energy: -138.523
where: short stacking energy: -79.937
Base-Backbone interact. energy: -0.028
local terms energy: -84.806390
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -24.115
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: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -204.896915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.896915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.896915 (E_RNA)
where:
Base-Base interactions energy: -127.192
where: short stacking energy: -71.102
Base-Backbone interact. energy: -0.366
local terms energy: -77.338960
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -196.811539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.811539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.811539 (E_RNA)
where:
Base-Base interactions energy: -122.867
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.330
local terms energy: -73.614704
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -102.787017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.787017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.787017 (E_RNA)
where:
Base-Base interactions energy: -50.439
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.584
local terms energy: -51.764892
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -92.626297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.626297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.626297 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -29.506
Base-Backbone interact. energy: 0.330
local terms energy: -49.880566
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -89.843904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.843904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.843904 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -36.651
Base-Backbone interact. energy: 0.771
local terms energy: -53.964163
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -86.851999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.851999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.851999 (E_RNA)
where:
Base-Base interactions energy: -37.758
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.132
local terms energy: -48.961977
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: 3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -229.385551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.385551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.385551 (E_RNA)
where:
Base-Base interactions energy: -150.944
where: short stacking energy: -81.227
Base-Backbone interact. energy: -0.003
local terms energy: -78.438205
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -23.771
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: 176
Temperature: 0.950000
Total energy: -212.400556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.400556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.400556 (E_RNA)
where:
Base-Base interactions energy: -140.144
where: short stacking energy: -70.235
Base-Backbone interact. energy: -0.304
local terms energy: -71.952202
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -217.684302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.684302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684302 (E_RNA)
where:
Base-Base interactions energy: -140.669
where: short stacking energy: -71.890
Base-Backbone interact. energy: 0.277
local terms energy: -77.292445
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -217.627982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.627982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.627982 (E_RNA)
where:
Base-Base interactions energy: -142.554
where: short stacking energy: -77.603
Base-Backbone interact. energy: -0.001
local terms energy: -75.073085
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -203.290834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.290834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.290834 (E_RNA)
where:
Base-Base interactions energy: -125.233
where: short stacking energy: -66.060
Base-Backbone interact. energy: -0.040
local terms energy: -78.018117
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -18.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -173.796231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.796231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.796231 (E_RNA)
where:
Base-Base interactions energy: -104.348
where: short stacking energy: -53.196
Base-Backbone interact. energy: -0.013
local terms energy: -69.434395
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -104.814491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.814491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.814491 (E_RNA)
where:
Base-Base interactions energy: -52.889
where: short stacking energy: -44.740
Base-Backbone interact. energy: -0.155
local terms energy: -51.770029
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -3.383
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -96.368170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.368170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.368170 (E_RNA)
where:
Base-Base interactions energy: -38.177
where: short stacking energy: -36.999
Base-Backbone interact. energy: -0.877
local terms energy: -57.314179
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -114.724072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.724072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.724072 (E_RNA)
where:
Base-Base interactions energy: -65.989
where: short stacking energy: -36.304
Base-Backbone interact. energy: 1.069
local terms energy: -49.804708
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -9.254
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: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -76.822636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.822636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.822636 (E_RNA)
where:
Base-Base interactions energy: -28.769
where: short stacking energy: -28.039
Base-Backbone interact. energy: -0.191
local terms energy: -47.863254
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -226.945075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.945075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.945075 (E_RNA)
where:
Base-Base interactions energy: -141.200
where: short stacking energy: -78.679
Base-Backbone interact. energy: -0.309
local terms energy: -85.436042
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.870
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: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -223.186821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.186821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.186821 (E_RNA)
where:
Base-Base interactions energy: -143.037
where: short stacking energy: -78.928
Base-Backbone interact. energy: -0.012
local terms energy: -80.136850
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -10.723
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -217.313943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.313943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.313943 (E_RNA)
where:
Base-Base interactions energy: -134.158
where: short stacking energy: -70.978
Base-Backbone interact. energy: 0.421
local terms energy: -83.577052
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -19.578
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -13.014
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: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -213.803965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.803965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.803965 (E_RNA)
where:
Base-Base interactions energy: -128.962
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.000
local terms energy: -84.841914
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -21.640
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: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -200.999838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.999838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.999838 (E_RNA)
where:
Base-Base interactions energy: -134.119
where: short stacking energy: -64.371
Base-Backbone interact. energy: 0.826
local terms energy: -67.706609
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -16.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -184.860690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.860690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.860690 (E_RNA)
where:
Base-Base interactions energy: -112.512
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.013
local terms energy: -72.335830
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -18.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -99.146713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.146713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.146713 (E_RNA)
where:
Base-Base interactions energy: -37.235
where: short stacking energy: -37.235
Base-Backbone interact. energy: -0.391
local terms energy: -61.521155
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -10.662
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: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -134.700310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.700310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.700310 (E_RNA)
where:
Base-Base interactions energy: -81.072
where: short stacking energy: -38.902
Base-Backbone interact. energy: -0.596
local terms energy: -53.032244
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -84.818036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.818036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.818036 (E_RNA)
where:
Base-Base interactions energy: -37.987
where: short stacking energy: -37.987
Base-Backbone interact. energy: 0.411
local terms energy: -47.241536
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -8.387
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -84.805900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805900 (E_RNA)
where:
Base-Base interactions energy: -34.465
where: short stacking energy: -26.777
Base-Backbone interact. energy: -0.070
local terms energy: -50.270700
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -2.564
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: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -236.970547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.970547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.970547 (E_RNA)
where:
Base-Base interactions energy: -149.762
where: short stacking energy: -85.300
Base-Backbone interact. energy: -0.025
local terms energy: -87.183759
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -24.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -223.028630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.028630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.028630 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -80.517
Base-Backbone interact. energy: -0.015
local terms energy: -82.900686
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -23.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -211.198958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.198958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.198958 (E_RNA)
where:
Base-Base interactions energy: -142.180
where: short stacking energy: -75.339
Base-Backbone interact. energy: -0.406
local terms energy: -68.612831
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.582
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: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -210.034288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.034288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.034288 (E_RNA)
where:
Base-Base interactions energy: -130.507
where: short stacking energy: -73.289
Base-Backbone interact. energy: -0.278
local terms energy: -79.248885
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -191.258234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.258234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.258234 (E_RNA)
where:
Base-Base interactions energy: -117.823
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.350
local terms energy: -73.085595
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -194.918957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.918957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.918957 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -68.046
Base-Backbone interact. energy: -0.001
local terms energy: -72.671933
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -177.232825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.232825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.232825 (E_RNA)
where:
Base-Base interactions energy: -110.940
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.423
local terms energy: -65.869589
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -13.217
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: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -99.252247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.252247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.252247 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -36.858
Base-Backbone interact. energy: -0.041
local terms energy: -62.353329
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -10.410
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: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -85.117339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.117339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.117339 (E_RNA)
where:
Base-Base interactions energy: -33.142
where: short stacking energy: -34.513
Base-Backbone interact. energy: 0.313
local terms energy: -52.288248
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -86.883822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.883822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.883822 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -39.624
Base-Backbone interact. energy: -0.026
local terms energy: -47.234282
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: 0.059
tors. eta vs tors. theta energy: -10.867
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -225.962745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.962745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.962745 (E_RNA)
where:
Base-Base interactions energy: -142.372
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.670
local terms energy: -82.920560
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -17.445
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: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -208.840711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.840711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.840711 (E_RNA)
where:
Base-Base interactions energy: -135.035
where: short stacking energy: -69.961
Base-Backbone interact. energy: -0.058
local terms energy: -73.747684
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -217.320953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.320953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.320953 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -71.532
Base-Backbone interact. energy: 1.752
local terms energy: -76.707082
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -10.029
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: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -200.579707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.579707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.579707 (E_RNA)
where:
Base-Base interactions energy: -130.289
where: short stacking energy: -65.780
Base-Backbone interact. energy: -0.055
local terms energy: -70.235828
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -204.237849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.237849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.237849 (E_RNA)
where:
Base-Base interactions energy: -129.665
where: short stacking energy: -63.006
Base-Backbone interact. energy: 1.120
local terms energy: -75.692541
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -198.688000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.688000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.688000 (E_RNA)
where:
Base-Base interactions energy: -129.242
where: short stacking energy: -63.398
Base-Backbone interact. energy: -0.001
local terms energy: -69.445236
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -18.134
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: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -176.411242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.411242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.411242 (E_RNA)
where:
Base-Base interactions energy: -104.462
where: short stacking energy: -55.666
Base-Backbone interact. energy: -0.049
local terms energy: -71.900488
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -97.653562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.653562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.653562 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -36.346
Base-Backbone interact. energy: -0.144
local terms energy: -46.818466
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -7.059
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: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -89.087230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.087230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.087230 (E_RNA)
where:
Base-Base interactions energy: -28.281
where: short stacking energy: -28.281
Base-Backbone interact. energy: 0.371
local terms energy: -61.176575
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -3.985
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: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -72.848364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.848364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.848364 (E_RNA)
where:
Base-Base interactions energy: -23.874
where: short stacking energy: -23.647
Base-Backbone interact. energy: -0.034
local terms energy: -48.940497
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -227.402769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.402769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.402769 (E_RNA)
where:
Base-Base interactions energy: -142.534
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.019
local terms energy: -84.849759
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -220.323977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.323977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.323977 (E_RNA)
where:
Base-Base interactions energy: -139.497
where: short stacking energy: -76.898
Base-Backbone interact. energy: -0.016
local terms energy: -80.811885
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -22.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -215.929243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.929243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.929243 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -75.377
Base-Backbone interact. energy: -0.047
local terms energy: -79.863211
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -22.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -213.525150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.525150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.525150 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.109
local terms energy: -75.099647
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -214.598046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.598046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.598046 (E_RNA)
where:
Base-Base interactions energy: -136.816
where: short stacking energy: -69.830
Base-Backbone interact. energy: -0.119
local terms energy: -77.663424
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -174.995826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.995826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.995826 (E_RNA)
where:
Base-Base interactions energy: -106.921
where: short stacking energy: -48.934
Base-Backbone interact. energy: -0.137
local terms energy: -67.937175
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -17.397
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: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -176.306197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.306197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.306197 (E_RNA)
where:
Base-Base interactions energy: -112.598
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.241
local terms energy: -63.466539
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -110.035715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.035715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.035715 (E_RNA)
where:
Base-Base interactions energy: -62.470
where: short stacking energy: -34.666
Base-Backbone interact. energy: -0.269
local terms energy: -47.297366
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -4.642
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: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -90.549085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.549085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.549085 (E_RNA)
where:
Base-Base interactions energy: -40.977
where: short stacking energy: -35.249
Base-Backbone interact. energy: 1.686
local terms energy: -51.258634
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -10.822
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: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -90.712910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.712910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.712910 (E_RNA)
where:
Base-Base interactions energy: -37.922
where: short stacking energy: -25.796
Base-Backbone interact. energy: -0.087
local terms energy: -52.703033
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -230.311638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.311638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.311638 (E_RNA)
where:
Base-Base interactions energy: -141.820
where: short stacking energy: -77.621
Base-Backbone interact. energy: -0.069
local terms energy: -88.422433
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -15.706
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -228.699379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.699379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.699379 (E_RNA)
where:
Base-Base interactions energy: -144.568
where: short stacking energy: -81.252
Base-Backbone interact. energy: -0.001
local terms energy: -84.130665
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -23.713
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: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -211.139117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.139117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.139117 (E_RNA)
where:
Base-Base interactions energy: -131.684
where: short stacking energy: -77.634
Base-Backbone interact. energy: -0.018
local terms energy: -79.436918
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -21.902
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: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -217.123599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.123599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.123599 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -72.360
Base-Backbone interact. energy: -0.130
local terms energy: -79.445710
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -212.312764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.312764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.312764 (E_RNA)
where:
Base-Base interactions energy: -137.075
where: short stacking energy: -72.781
Base-Backbone interact. energy: -0.061
local terms energy: -75.176997
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -190.539393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.539393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.539393 (E_RNA)
where:
Base-Base interactions energy: -114.315
where: short stacking energy: -54.717
Base-Backbone interact. energy: -0.106
local terms energy: -76.118565
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -139.761289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.761289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.761289 (E_RNA)
where:
Base-Base interactions energy: -81.262
where: short stacking energy: -44.057
Base-Backbone interact. energy: 2.654
local terms energy: -61.152516
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -85.387423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.387423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.387423 (E_RNA)
where:
Base-Base interactions energy: -36.243
where: short stacking energy: -26.817
Base-Backbone interact. energy: -0.089
local terms energy: -49.055359
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -91.682750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.682750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.682750 (E_RNA)
where:
Base-Base interactions energy: -35.521
where: short stacking energy: -35.521
Base-Backbone interact. energy: -0.008
local terms energy: -56.154408
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -7.856
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: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -89.309113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.309113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.309113 (E_RNA)
where:
Base-Base interactions energy: -27.908
where: short stacking energy: -27.908
Base-Backbone interact. energy: -0.014
local terms energy: -61.387771
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -10.906
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -9.015
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: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -222.593846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.593846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.593846 (E_RNA)
where:
Base-Base interactions energy: -143.787
where: short stacking energy: -79.833
Base-Backbone interact. energy: -0.041
local terms energy: -78.766424
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -21.763
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: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -222.455711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.455711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.455711 (E_RNA)
where:
Base-Base interactions energy: -140.529
where: short stacking energy: -81.370
Base-Backbone interact. energy: -0.017
local terms energy: -81.908864
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -21.254
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: 182
Temperature: 1.000000
Total energy: -210.823389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.823389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.823389 (E_RNA)
where:
Base-Base interactions energy: -137.021
where: short stacking energy: -74.518
Base-Backbone interact. energy: -0.024
local terms energy: -73.778127
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -9.367
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: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -206.471693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.471693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.471693 (E_RNA)
where:
Base-Base interactions energy: -127.619
where: short stacking energy: -65.573
Base-Backbone interact. energy: -0.303
local terms energy: -78.550134
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -8.749
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: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -201.213477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.213477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.213477 (E_RNA)
where:
Base-Base interactions energy: -125.744
where: short stacking energy: -60.029
Base-Backbone interact. energy: -0.067
local terms energy: -75.401675
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -194.237767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.237767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.237767 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.017
local terms energy: -78.323172
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -104.210115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.210115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.210115 (E_RNA)
where:
Base-Base interactions energy: -52.435
where: short stacking energy: -41.797
Base-Backbone interact. energy: -0.540
local terms energy: -51.234448
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -9.051
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -8.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -133.303623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.303623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.303623 (E_RNA)
where:
Base-Base interactions energy: -82.074
where: short stacking energy: -36.302
Base-Backbone interact. energy: -0.216
local terms energy: -51.013790
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -85.159142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.159142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.159142 (E_RNA)
where:
Base-Base interactions energy: -33.982
where: short stacking energy: -32.711
Base-Backbone interact. energy: -0.149
local terms energy: -51.028740
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -2.643
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -88.938914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.938914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.938914 (E_RNA)
where:
Base-Base interactions energy: -28.743
where: short stacking energy: -28.743
Base-Backbone interact. energy: 0.011
local terms energy: -60.207666
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -217.715132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.715132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.715132 (E_RNA)
where:
Base-Base interactions energy: -132.769
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.016
local terms energy: -84.930305
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -209.818336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.818336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.818336 (E_RNA)
where:
Base-Base interactions energy: -132.196
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.026
local terms energy: -77.596136
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -21.547
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: 3, replica: 7
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -224.731093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.731093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.731093 (E_RNA)
where:
Base-Base interactions energy: -140.993
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.019
local terms energy: -83.719442
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -12.736
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: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -205.698389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.698389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.698389 (E_RNA)
where:
Base-Base interactions energy: -129.543
where: short stacking energy: -67.780
Base-Backbone interact. energy: -0.034
local terms energy: -76.120734
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -184.073769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.073769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.073769 (E_RNA)
where:
Base-Base interactions energy: -112.079
where: short stacking energy: -47.665
Base-Backbone interact. energy: -0.415
local terms energy: -71.579983
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -195.297612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.297612 (E_RNA)
where:
Base-Base interactions energy: -119.440
where: short stacking energy: -68.383
Base-Backbone interact. energy: -0.057
local terms energy: -75.800136
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -22.824
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: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -115.326508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.326508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.326508 (E_RNA)
where:
Base-Base interactions energy: -48.584
where: short stacking energy: -48.584
Base-Backbone interact. energy: -0.075
local terms energy: -66.667651
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -139.644905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.644905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.644905 (E_RNA)
where:
Base-Base interactions energy: -80.395
where: short stacking energy: -35.087
Base-Backbone interact. energy: -0.210
local terms energy: -59.039781
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -80.079258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.079258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.079258 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.187
local terms energy: -51.546732
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -93.013624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.013624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.013624 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -33.517
Base-Backbone interact. energy: 0.977
local terms energy: -57.591063
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -223.944292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.944292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.944292 (E_RNA)
where:
Base-Base interactions energy: -149.610
where: short stacking energy: -78.224
Base-Backbone interact. energy: -0.013
local terms energy: -74.321800
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -223.113996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113996 (E_RNA)
where:
Base-Base interactions energy: -143.451
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.000
local terms energy: -79.663261
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -23.194
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: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -223.666975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.666975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.666975 (E_RNA)
where:
Base-Base interactions energy: -139.069
where: short stacking energy: -77.469
Base-Backbone interact. energy: -0.010
local terms energy: -84.587338
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -14.654
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: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -218.514309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.514309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.514309 (E_RNA)
where:
Base-Base interactions energy: -138.685
where: short stacking energy: -75.973
Base-Backbone interact. energy: 1.913
local terms energy: -81.742479
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -177.624638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.624638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.624638 (E_RNA)
where:
Base-Base interactions energy: -112.449
where: short stacking energy: -62.134
Base-Backbone interact. energy: -0.014
local terms energy: -65.161761
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -171.007286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.007286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.007286 (E_RNA)
where:
Base-Base interactions energy: -104.417
where: short stacking energy: -51.761
Base-Backbone interact. energy: -0.322
local terms energy: -66.267748
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -10.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -176.269264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.269264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269264 (E_RNA)
where:
Base-Base interactions energy: -112.220
where: short stacking energy: -60.736
Base-Backbone interact. energy: 0.706
local terms energy: -64.755378
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -94.885580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.885580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.885580 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -31.922
Base-Backbone interact. energy: -0.000
local terms energy: -62.963638
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -91.181420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.181420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.181420 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -33.346
Base-Backbone interact. energy: 1.574
local terms energy: -59.409162
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -88.275014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.275014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.275014 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.188
local terms energy: -56.022750
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -226.286012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.286012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.286012 (E_RNA)
where:
Base-Base interactions energy: -149.189
where: short stacking energy: -79.227
Base-Backbone interact. energy: -0.114
local terms energy: -76.982577
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -234.308143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.308143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.308143 (E_RNA)
where:
Base-Base interactions energy: -145.568
where: short stacking energy: -83.116
Base-Backbone interact. energy: -0.026
local terms energy: -88.713974
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -24.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -222.221537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.221537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.221537 (E_RNA)
where:
Base-Base interactions energy: -141.691
where: short stacking energy: -73.468
Base-Backbone interact. energy: -0.053
local terms energy: -80.477815
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.628
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: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -187.659265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.659265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.659265 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.638
local terms energy: -74.648884
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -202.201690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.201690 (E_RNA)
where:
Base-Base interactions energy: -129.015
where: short stacking energy: -70.446
Base-Backbone interact. energy: 0.161
local terms energy: -73.347816
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.988
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: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -178.156537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.156537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.156537 (E_RNA)
where:
Base-Base interactions energy: -106.187
where: short stacking energy: -58.895
Base-Backbone interact. energy: -0.079
local terms energy: -71.890474
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -172.538706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.538706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.538706 (E_RNA)
where:
Base-Base interactions energy: -107.868
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.319
local terms energy: -64.351140
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -90.111995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.111995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.111995 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -32.411
Base-Backbone interact. energy: -0.198
local terms energy: -57.502919
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -121.847393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.847393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.847393 (E_RNA)
where:
Base-Base interactions energy: -70.052
where: short stacking energy: -39.809
Base-Backbone interact. energy: -1.550
local terms energy: -50.245646
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.562450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.562450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.562450 (E_RNA)
where:
Base-Base interactions energy: -25.539
where: short stacking energy: -25.539
Base-Backbone interact. energy: -0.061
local terms energy: -55.962336
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -238.137588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.137588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.137588 (E_RNA)
where:
Base-Base interactions energy: -147.285
where: short stacking energy: -83.362
Base-Backbone interact. energy: -0.065
local terms energy: -90.787048
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -15.353
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: 186
Temperature: 0.950000
Total energy: -228.124449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.124449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.124449 (E_RNA)
where:
Base-Base interactions energy: -142.101
where: short stacking energy: -79.686
Base-Backbone interact. energy: -0.021
local terms energy: -86.002842
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -211.116438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.116438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.116438 (E_RNA)
where:
Base-Base interactions energy: -132.980
where: short stacking energy: -71.019
Base-Backbone interact. energy: -0.017
local terms energy: -78.119823
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -13.318
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: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -194.388264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.388264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.388264 (E_RNA)
where:
Base-Base interactions energy: -115.998
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.192
local terms energy: -78.198545
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -207.257358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.257358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.257358 (E_RNA)
where:
Base-Base interactions energy: -132.625
where: short stacking energy: -67.187
Base-Backbone interact. energy: -0.163
local terms energy: -74.469529
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -174.898673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.898673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.898673 (E_RNA)
where:
Base-Base interactions energy: -104.428
where: short stacking energy: -47.388
Base-Backbone interact. energy: -0.034
local terms energy: -70.436294
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -11.450
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: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -178.313900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.313900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.313900 (E_RNA)
where:
Base-Base interactions energy: -113.476
where: short stacking energy: -62.552
Base-Backbone interact. energy: -0.003
local terms energy: -64.835571
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -88.343644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.343644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.343644 (E_RNA)
where:
Base-Base interactions energy: -26.972
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.039
local terms energy: -61.332757
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -96.731920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.731920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.731920 (E_RNA)
where:
Base-Base interactions energy: -45.319
where: short stacking energy: -45.319
Base-Backbone interact. energy: -0.025
local terms energy: -51.388378
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -83.617084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.617084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.617084 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -31.858
Base-Backbone interact. energy: -0.132
local terms energy: -51.627459
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -1.177
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: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -230.702899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.702899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.702899 (E_RNA)
where:
Base-Base interactions energy: -149.898
where: short stacking energy: -84.550
Base-Backbone interact. energy: -0.011
local terms energy: -80.794113
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -222.331521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.331521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.331521 (E_RNA)
where:
Base-Base interactions energy: -143.494
where: short stacking energy: -80.255
Base-Backbone interact. energy: -0.030
local terms energy: -78.807355
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -23.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -210.903996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.903996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.903996 (E_RNA)
where:
Base-Base interactions energy: -133.039
where: short stacking energy: -78.037
Base-Backbone interact. energy: -0.622
local terms energy: -77.243072
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -211.772021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.772021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.772021 (E_RNA)
where:
Base-Base interactions energy: -138.919
where: short stacking energy: -77.316
Base-Backbone interact. energy: -0.307
local terms energy: -72.546190
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -180.061208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.061208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.061208 (E_RNA)
where:
Base-Base interactions energy: -107.435
where: short stacking energy: -58.782
Base-Backbone interact. energy: 0.621
local terms energy: -73.246955
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.658
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: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -174.755407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.755407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.755407 (E_RNA)
where:
Base-Base interactions energy: -109.527
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.003
local terms energy: -65.225636
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -172.674577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.674577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.674577 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.090
local terms energy: -60.930039
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -103.016480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.016480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.016480 (E_RNA)
where:
Base-Base interactions energy: -47.919
where: short stacking energy: -45.381
Base-Backbone interact. energy: -0.903
local terms energy: -54.194177
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -82.592933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.592933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.592933 (E_RNA)
where:
Base-Base interactions energy: -32.825
where: short stacking energy: -32.704
Base-Backbone interact. energy: -0.262
local terms energy: -49.506253
where:
bonds (distance) C4'-P energy: -7.915
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -73.752891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.752891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.752891 (E_RNA)
where:
Base-Base interactions energy: -28.402
where: short stacking energy: -21.893
Base-Backbone interact. energy: -0.153
local terms energy: -45.197634
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -224.608773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.608773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.608773 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.032
local terms energy: -82.875590
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -233.882828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.882828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.882828 (E_RNA)
where:
Base-Base interactions energy: -143.113
where: short stacking energy: -82.292
Base-Backbone interact. energy: -0.061
local terms energy: -90.708283
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -215.576441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.576441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.576441 (E_RNA)
where:
Base-Base interactions energy: -135.096
where: short stacking energy: -72.161
Base-Backbone interact. energy: -0.142
local terms energy: -80.337645
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -12.568
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: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -215.661643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.661643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.661643 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -77.400
Base-Backbone interact. energy: -0.053
local terms energy: -76.512932
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -22.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -193.350677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.350677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.350677 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -62.858
Base-Backbone interact. energy: -0.307
local terms energy: -68.469677
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -176.851459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.851459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.851459 (E_RNA)
where:
Base-Base interactions energy: -114.708
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.023
local terms energy: -62.120801
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -161.310628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.310628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.310628 (E_RNA)
where:
Base-Base interactions energy: -105.511
where: short stacking energy: -52.820
Base-Backbone interact. energy: -0.018
local terms energy: -55.781551
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -8.295
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -96.628532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.628532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.628532 (E_RNA)
where:
Base-Base interactions energy: -36.072
where: short stacking energy: -36.072
Base-Backbone interact. energy: -0.114
local terms energy: -60.442069
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -2.978
tors. eta vs tors. theta energy: -8.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -86.197480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.197480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.197480 (E_RNA)
where:
Base-Base interactions energy: -31.443
where: short stacking energy: -27.725
Base-Backbone interact. energy: -1.083
local terms energy: -53.671304
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -5.762
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: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -77.853402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.853402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.853402 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -8.272
Base-Backbone interact. energy: -0.143
local terms energy: -43.166530
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: 3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -233.660358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.660358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.660358 (E_RNA)
where:
Base-Base interactions energy: -150.102
where: short stacking energy: -80.328
Base-Backbone interact. energy: -0.008
local terms energy: -83.550122
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -218.675614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.675614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.675614 (E_RNA)
where:
Base-Base interactions energy: -137.303
where: short stacking energy: -77.444
Base-Backbone interact. energy: -0.086
local terms energy: -81.286889
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -221.171724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.171724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.171724 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -81.168
Base-Backbone interact. energy: -0.008
local terms energy: -79.629653
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -199.994836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.994836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.994836 (E_RNA)
where:
Base-Base interactions energy: -129.180
where: short stacking energy: -69.809
Base-Backbone interact. energy: -0.011
local terms energy: -70.803789
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -216.909038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.909038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.909038 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -78.562
Base-Backbone interact. energy: 1.485
local terms energy: -81.045305
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -183.321218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.321218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.321218 (E_RNA)
where:
Base-Base interactions energy: -110.187
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.057
local terms energy: -73.077300
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -171.526443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.526443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.526443 (E_RNA)
where:
Base-Base interactions energy: -102.810
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.124
local terms energy: -68.593054
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -11.566
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: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -91.976417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.976417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.976417 (E_RNA)
where:
Base-Base interactions energy: -42.687
where: short stacking energy: -29.897
Base-Backbone interact. energy: 1.110
local terms energy: -50.399632
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -93.127092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.127092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.127092 (E_RNA)
where:
Base-Base interactions energy: -40.114
where: short stacking energy: -33.898
Base-Backbone interact. energy: -0.048
local terms energy: -52.965647
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -5.131
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: 189
Temperature: 1.350000
Total energy: -87.336018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.336018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.336018 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -22.156
Base-Backbone interact. energy: -0.267
local terms energy: -49.495029
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -5.406
flat angles P-C4'-P energy: -12.245
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: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -230.674717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.674717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.674717 (E_RNA)
where:
Base-Base interactions energy: -145.404
where: short stacking energy: -77.140
Base-Backbone interact. energy: -0.017
local terms energy: -85.253781
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -22.457
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: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -232.748359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.748359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.748359 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.150
local terms energy: -92.203797
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -206.366511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.366511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.366511 (E_RNA)
where:
Base-Base interactions energy: -131.960
where: short stacking energy: -71.327
Base-Backbone interact. energy: -0.194
local terms energy: -74.212718
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -18.972
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: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -223.078249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.078249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.078249 (E_RNA)
where:
Base-Base interactions energy: -145.739
where: short stacking energy: -77.787
Base-Backbone interact. energy: 0.076
local terms energy: -77.414545
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -184.140571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140571 (E_RNA)
where:
Base-Base interactions energy: -117.971
where: short stacking energy: -62.068
Base-Backbone interact. energy: 0.246
local terms energy: -66.416157
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -203.063492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.063492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.063492 (E_RNA)
where:
Base-Base interactions energy: -137.199
where: short stacking energy: -70.739
Base-Backbone interact. energy: -0.002
local terms energy: -65.862765
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -196.110149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.110149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.110149 (E_RNA)
where:
Base-Base interactions energy: -124.571
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.613
local terms energy: -70.926163
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -11.671
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: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -92.248603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.248603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.248603 (E_RNA)
where:
Base-Base interactions energy: -42.222
where: short stacking energy: -40.014
Base-Backbone interact. energy: -0.549
local terms energy: -49.477843
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -82.321977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.321977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.321977 (E_RNA)
where:
Base-Base interactions energy: -28.402
where: short stacking energy: -28.402
Base-Backbone interact. energy: -0.173
local terms energy: -53.747367
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -85.189265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189265 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -39.239
Base-Backbone interact. energy: 0.469
local terms energy: -46.418755
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -227.883957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.883957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.883957 (E_RNA)
where:
Base-Base interactions energy: -142.689
where: short stacking energy: -79.267
Base-Backbone interact. energy: -0.073
local terms energy: -85.121700
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -223.668047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.668047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.668047 (E_RNA)
where:
Base-Base interactions energy: -144.521
where: short stacking energy: -81.360
Base-Backbone interact. energy: -0.011
local terms energy: -79.135465
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -195.959622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.959622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.959622 (E_RNA)
where:
Base-Base interactions energy: -124.687
where: short stacking energy: -59.014
Base-Backbone interact. energy: -0.481
local terms energy: -70.792024
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -195.033549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.033549 (E_RNA)
where:
Base-Base interactions energy: -126.939
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.374
local terms energy: -67.719615
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -17.918
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: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -209.702388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.702388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.702388 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -69.240
Base-Backbone interact. energy: -0.034
local terms energy: -80.015354
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -177.190109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.190109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.190109 (E_RNA)
where:
Base-Base interactions energy: -111.851
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.026
local terms energy: -65.312824
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -196.506886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.506886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.506886 (E_RNA)
where:
Base-Base interactions energy: -127.502
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.140
local terms energy: -68.865357
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -18.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -92.207271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.207271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.207271 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -36.460
Base-Backbone interact. energy: -0.135
local terms energy: -55.612587
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -83.244149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244149 (E_RNA)
where:
Base-Base interactions energy: -26.528
where: short stacking energy: -26.528
Base-Backbone interact. energy: 0.083
local terms energy: -56.799204
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -74.500501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.500501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.500501 (E_RNA)
where:
Base-Base interactions energy: -25.530
where: short stacking energy: -25.530
Base-Backbone interact. energy: -0.122
local terms energy: -48.848872
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -0.479
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -223.135900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.135900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.135900 (E_RNA)
where:
Base-Base interactions energy: -142.592
where: short stacking energy: -78.235
Base-Backbone interact. energy: -0.004
local terms energy: -80.539187
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -223.765235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.765235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.765235 (E_RNA)
where:
Base-Base interactions energy: -140.597
where: short stacking energy: -74.992
Base-Backbone interact. energy: -0.012
local terms energy: -83.156195
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -22.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -199.153419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.153419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.153419 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -61.961
Base-Backbone interact. energy: -0.062
local terms energy: -69.431044
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -212.279923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.279923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.279923 (E_RNA)
where:
Base-Base interactions energy: -130.063
where: short stacking energy: -67.533
Base-Backbone interact. energy: -0.084
local terms energy: -82.133274
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -22.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -174.790730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.790730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.790730 (E_RNA)
where:
Base-Base interactions energy: -100.875
where: short stacking energy: -51.359
Base-Backbone interact. energy: -0.240
local terms energy: -73.675568
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -199.562315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.562315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.562315 (E_RNA)
where:
Base-Base interactions energy: -132.062
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.006
local terms energy: -67.494552
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.179
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: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -200.040434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.040434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.040434 (E_RNA)
where:
Base-Base interactions energy: -125.800
where: short stacking energy: -65.024
Base-Backbone interact. energy: -0.025
local terms energy: -74.215310
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.158
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: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -109.485660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.485660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.485660 (E_RNA)
where:
Base-Base interactions energy: -53.210
where: short stacking energy: -29.454
Base-Backbone interact. energy: -0.303
local terms energy: -55.972541
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -7.200
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -88.703077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.703077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.703077 (E_RNA)
where:
Base-Base interactions energy: -26.095
where: short stacking energy: -25.391
Base-Backbone interact. energy: -0.150
local terms energy: -62.457621
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -85.034433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.034433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.034433 (E_RNA)
where:
Base-Base interactions energy: -25.907
where: short stacking energy: -25.907
Base-Backbone interact. energy: -0.484
local terms energy: -58.643337
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -226.740041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.740041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.740041 (E_RNA)
where:
Base-Base interactions energy: -144.456
where: short stacking energy: -80.113
Base-Backbone interact. energy: -0.003
local terms energy: -82.280481
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -222.742174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.742174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.742174 (E_RNA)
where:
Base-Base interactions energy: -145.276
where: short stacking energy: -74.150
Base-Backbone interact. energy: -0.033
local terms energy: -77.433394
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -21.418
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: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -196.047813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.047813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.047813 (E_RNA)
where:
Base-Base interactions energy: -130.317
where: short stacking energy: -65.731
Base-Backbone interact. energy: -0.199
local terms energy: -65.531533
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -187.515453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.515453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.515453 (E_RNA)
where:
Base-Base interactions energy: -116.077
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.076
local terms energy: -71.361827
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -197.440666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.440666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.440666 (E_RNA)
where:
Base-Base interactions energy: -124.279
where: short stacking energy: -66.532
Base-Backbone interact. energy: -0.875
local terms energy: -72.286438
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -11.765
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: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -199.196848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.196848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.196848 (E_RNA)
where:
Base-Base interactions energy: -123.150
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.100
local terms energy: -75.947182
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -197.867909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.867909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.867909 (E_RNA)
where:
Base-Base interactions energy: -122.080
where: short stacking energy: -67.356
Base-Backbone interact. energy: -0.145
local terms energy: -75.642261
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -102.795079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.795079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.795079 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -38.492
Base-Backbone interact. energy: -0.193
local terms energy: -60.105856
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -81.471550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.471550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.471550 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -24.966
Base-Backbone interact. energy: 2.192
local terms energy: -50.411051
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.142
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -77.774737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.774737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.774737 (E_RNA)
where:
Base-Base interactions energy: -29.341
where: short stacking energy: -14.637
Base-Backbone interact. energy: 1.931
local terms energy: -50.364551
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -7.918
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: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -218.392884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.392884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.392884 (E_RNA)
where:
Base-Base interactions energy: -140.330
where: short stacking energy: -76.983
Base-Backbone interact. energy: -0.075
local terms energy: -77.988775
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -22.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -221.560192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.560192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.560192 (E_RNA)
where:
Base-Base interactions energy: -143.460
where: short stacking energy: -75.844
Base-Backbone interact. energy: -0.018
local terms energy: -78.082184
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -12.798
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: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -200.603358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.603358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.603358 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -61.843
Base-Backbone interact. energy: -0.006
local terms energy: -75.858560
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.055
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: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -204.853549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.853549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.853549 (E_RNA)
where:
Base-Base interactions energy: -127.081
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.008
local terms energy: -77.765496
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -22.100
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: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -200.080430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.080430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.080430 (E_RNA)
where:
Base-Base interactions energy: -129.388
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.001
local terms energy: -70.691326
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -194.490872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.490872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.490872 (E_RNA)
where:
Base-Base interactions energy: -119.903
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.198
local terms energy: -74.389534
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -203.057164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.057164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.057164 (E_RNA)
where:
Base-Base interactions energy: -131.810
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.062
local terms energy: -71.184724
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -8.968
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -91.151859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.151859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.151859 (E_RNA)
where:
Base-Base interactions energy: -28.582
where: short stacking energy: -28.273
Base-Backbone interact. energy: -0.089
local terms energy: -62.481159
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -7.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -86.167591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.167591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.167591 (E_RNA)
where:
Base-Base interactions energy: -34.328
where: short stacking energy: -23.089
Base-Backbone interact. energy: 0.566
local terms energy: -52.405128
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -4.704
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: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -87.974986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.974986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.974986 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -30.804
Base-Backbone interact. energy: -0.187
local terms energy: -56.984252
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -7.769
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: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -215.631270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.631270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.631270 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -66.612
Base-Backbone interact. energy: -0.339
local terms energy: -80.572936
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -18.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -223.966940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.966940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.966940 (E_RNA)
where:
Base-Base interactions energy: -139.163
where: short stacking energy: -75.461
Base-Backbone interact. energy: -0.084
local terms energy: -84.719697
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -213.205475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.205475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.205475 (E_RNA)
where:
Base-Base interactions energy: -135.507
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.284
local terms energy: -77.414332
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -10.629
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: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -218.989689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.989689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.989689 (E_RNA)
where:
Base-Base interactions energy: -142.123
where: short stacking energy: -80.410
Base-Backbone interact. energy: -0.019
local terms energy: -76.848106
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -22.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -194.748639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.748639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.748639 (E_RNA)
where:
Base-Base interactions energy: -122.837
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.428
local terms energy: -71.483208
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -8.250
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: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -206.152318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.152318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.152318 (E_RNA)
where:
Base-Base interactions energy: -126.225
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.100
local terms energy: -79.827771
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -9.319
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: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -183.103126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.103126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.103126 (E_RNA)
where:
Base-Base interactions energy: -113.583
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.074
local terms energy: -69.445483
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -85.160196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160196 (E_RNA)
where:
Base-Base interactions energy: -35.465
where: short stacking energy: -34.009
Base-Backbone interact. energy: -0.088
local terms energy: -49.607153
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -6.449
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -6.940
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: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -90.676044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.676044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.676044 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -29.157
Base-Backbone interact. energy: -0.103
local terms energy: -57.229511
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -81.887624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.887624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.887624 (E_RNA)
where:
Base-Base interactions energy: -35.042
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.301
local terms energy: -46.545352
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -8.829
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -221.522158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.522158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.522158 (E_RNA)
where:
Base-Base interactions energy: -143.299
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.034
local terms energy: -78.188881
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -210.042073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.042073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.042073 (E_RNA)
where:
Base-Base interactions energy: -135.780
where: short stacking energy: -73.492
Base-Backbone interact. energy: -0.086
local terms energy: -74.175507
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -17.934
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: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -222.094795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.094795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.094795 (E_RNA)
where:
Base-Base interactions energy: -144.960
where: short stacking energy: -82.721
Base-Backbone interact. energy: -0.246
local terms energy: -76.889242
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -23.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -201.057420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.057420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.057420 (E_RNA)
where:
Base-Base interactions energy: -124.972
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.065
local terms energy: -76.020256
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -219.542437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.542437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.542437 (E_RNA)
where:
Base-Base interactions energy: -141.599
where: short stacking energy: -73.613
Base-Backbone interact. energy: -0.126
local terms energy: -77.817477
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -177.462453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.462453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.462453 (E_RNA)
where:
Base-Base interactions energy: -115.780
where: short stacking energy: -51.685
Base-Backbone interact. energy: 0.725
local terms energy: -62.407469
where:
bonds (distance) C4'-P energy: -7.687
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -165.545680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.545680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.545680 (E_RNA)
where:
Base-Base interactions energy: -107.037
where: short stacking energy: -54.714
Base-Backbone interact. energy: 0.743
local terms energy: -59.251175
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -12.867
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: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -89.735190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.735190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.735190 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -32.134
Base-Backbone interact. energy: -0.176
local terms energy: -56.230985
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -6.499
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -9.745
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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -84.726616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.726616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.726616 (E_RNA)
where:
Base-Base interactions energy: -33.497
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.142
local terms energy: -51.086792
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -8.362
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: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -80.485789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.485789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.485789 (E_RNA)
where:
Base-Base interactions energy: -27.608
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.076
local terms energy: -52.801738
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -228.000133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.000133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.000133 (E_RNA)
where:
Base-Base interactions energy: -144.434
where: short stacking energy: -82.671
Base-Backbone interact. energy: 0.071
local terms energy: -83.637035
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -226.102577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.102577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.102577 (E_RNA)
where:
Base-Base interactions energy: -143.602
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.102
local terms energy: -82.399045
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -11.905
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: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -211.695459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.695459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.695459 (E_RNA)
where:
Base-Base interactions energy: -138.062
where: short stacking energy: -74.585
Base-Backbone interact. energy: -0.004
local terms energy: -73.630051
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -22.211
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: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -208.503151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.503151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.503151 (E_RNA)
where:
Base-Base interactions energy: -129.092
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.064
local terms energy: -79.346749
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -10.414
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: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -204.617119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.617119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.617119 (E_RNA)
where:
Base-Base interactions energy: -127.842
where: short stacking energy: -68.331
Base-Backbone interact. energy: 0.288
local terms energy: -77.063899
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -10.574
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: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -193.802694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.802694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.802694 (E_RNA)
where:
Base-Base interactions energy: -119.780
where: short stacking energy: -61.606
Base-Backbone interact. energy: -0.106
local terms energy: -73.917050
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -13.614
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: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -138.337566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.337566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.337566 (E_RNA)
where:
Base-Base interactions energy: -82.589
where: short stacking energy: -42.941
Base-Backbone interact. energy: -0.171
local terms energy: -55.578314
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -83.768097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.768097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.768097 (E_RNA)
where:
Base-Base interactions energy: -27.196
where: short stacking energy: -24.081
Base-Backbone interact. energy: -0.619
local terms energy: -55.953340
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -94.368835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.368835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.368835 (E_RNA)
where:
Base-Base interactions energy: -45.723
where: short stacking energy: -14.059
Base-Backbone interact. energy: 1.164
local terms energy: -49.810110
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -81.475185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.475185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.475185 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -30.885
Base-Backbone interact. energy: -0.175
local terms energy: -50.415304
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -221.774741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.774741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.774741 (E_RNA)
where:
Base-Base interactions energy: -142.370
where: short stacking energy: -76.321
Base-Backbone interact. energy: -0.003
local terms energy: -79.401578
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -22.304
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: 198
Temperature: 0.950000
Total energy: -229.483511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.483511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.483511 (E_RNA)
where:
Base-Base interactions energy: -140.161
where: short stacking energy: -80.186
Base-Backbone interact. energy: -0.079
local terms energy: -89.243522
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -216.876982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.876982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.876982 (E_RNA)
where:
Base-Base interactions energy: -135.282
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.074
local terms energy: -81.520663
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -202.162150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.162150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.162150 (E_RNA)
where:
Base-Base interactions energy: -128.919
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.627
local terms energy: -72.616232
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -194.729228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.729228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.729228 (E_RNA)
where:
Base-Base interactions energy: -122.518
where: short stacking energy: -60.419
Base-Backbone interact. energy: -0.273
local terms energy: -71.938863
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -17.349
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: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -208.964777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.964777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.964777 (E_RNA)
where:
Base-Base interactions energy: -141.562
where: short stacking energy: -76.960
Base-Backbone interact. energy: -0.024
local terms energy: -67.378755
where:
bonds (distance) C4'-P energy: -5.649
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -91.159973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.159973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.159973 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -31.746
Base-Backbone interact. energy: -0.248
local terms energy: -59.165601
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -138.299624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.299624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.299624 (E_RNA)
where:
Base-Base interactions energy: -76.768
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.362
local terms energy: -61.169544
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -4.940
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: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -89.127852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.127852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.127852 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -34.569
Base-Backbone interact. energy: 0.206
local terms energy: -52.811357
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -100.205724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.205724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.205724 (E_RNA)
where:
Base-Base interactions energy: -42.826
where: short stacking energy: -34.640
Base-Backbone interact. energy: -0.137
local terms energy: -57.242382
where:
bonds (distance) C4'-P energy: -15.359
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -223.906027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.906027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.906027 (E_RNA)
where:
Base-Base interactions energy: -140.280
where: short stacking energy: -80.171
Base-Backbone interact. energy: -0.040
local terms energy: -83.585567
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -221.414929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.414929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.414929 (E_RNA)
where:
Base-Base interactions energy: -138.990
where: short stacking energy: -78.596
Base-Backbone interact. energy: -0.204
local terms energy: -82.220861
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -13.974
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: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -207.629619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.629619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.629619 (E_RNA)
where:
Base-Base interactions energy: -139.556
where: short stacking energy: -68.486
Base-Backbone interact. energy: -0.346
local terms energy: -67.727622
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -11.214
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: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -214.116413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.116413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.116413 (E_RNA)
where:
Base-Base interactions energy: -130.499
where: short stacking energy: -71.496
Base-Backbone interact. energy: -0.060
local terms energy: -83.557185
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -197.218859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.218859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.218859 (E_RNA)
where:
Base-Base interactions energy: -125.115
where: short stacking energy: -65.706
Base-Backbone interact. energy: -0.297
local terms energy: -71.806873
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -202.652238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.652238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.652238 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.059
local terms energy: -70.406724
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -21.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -93.991858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.991858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.991858 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -30.641
Base-Backbone interact. energy: -0.005
local terms energy: -63.346567
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -100.807951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.807951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.807951 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -43.716
Base-Backbone interact. energy: 0.906
local terms energy: -57.998252
where:
bonds (distance) C4'-P energy: -8.594
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -9.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -122.370595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.370595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.370595 (E_RNA)
where:
Base-Base interactions energy: -69.864
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.733
local terms energy: -51.773331
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -93.324768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.324768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.324768 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.046
local terms energy: -53.878709
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -7.511
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: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -232.048604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.048604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.048604 (E_RNA)
where:
Base-Base interactions energy: -147.861
where: short stacking energy: -80.418
Base-Backbone interact. energy: -0.002
local terms energy: -84.185702
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -218.056616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.056616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.056616 (E_RNA)
where:
Base-Base interactions energy: -133.090
where: short stacking energy: -77.020
Base-Backbone interact. energy: -0.159
local terms energy: -84.807549
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -212.355721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.355721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.355721 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -69.722
Base-Backbone interact. energy: -0.630
local terms energy: -79.896800
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -13.966
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: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -194.606326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.606326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.606326 (E_RNA)
where:
Base-Base interactions energy: -120.606
where: short stacking energy: -66.255
Base-Backbone interact. energy: -0.891
local terms energy: -73.109257
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -184.589669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.589669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.589669 (E_RNA)
where:
Base-Base interactions energy: -121.099
where: short stacking energy: -64.872
Base-Backbone interact. energy: -0.678
local terms energy: -62.813470
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -194.667460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.667460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.667460 (E_RNA)
where:
Base-Base interactions energy: -128.894
where: short stacking energy: -62.811
Base-Backbone interact. energy: 1.201
local terms energy: -66.975180
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -89.464940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.464940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.464940 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -31.294
Base-Backbone interact. energy: -0.620
local terms energy: -53.486005
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -5.079
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: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -89.645890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.645890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.645890 (E_RNA)
where:
Base-Base interactions energy: -37.502
where: short stacking energy: -36.413
Base-Backbone interact. energy: -0.023
local terms energy: -52.121201
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -119.307353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.307353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.307353 (E_RNA)
where:
Base-Base interactions energy: -61.725
where: short stacking energy: -39.160
Base-Backbone interact. energy: -0.429
local terms energy: -57.153337
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -79.457799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.457799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.457799 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -32.456
Base-Backbone interact. energy: -0.384
local terms energy: -44.688375
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -232.406986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.406986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.406986 (E_RNA)
where:
Base-Base interactions energy: -152.579
where: short stacking energy: -84.594
Base-Backbone interact. energy: -0.042
local terms energy: -79.785720
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -25.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -219.145176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.145176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.145176 (E_RNA)
where:
Base-Base interactions energy: -132.136
where: short stacking energy: -71.860
Base-Backbone interact. energy: -0.122
local terms energy: -86.887372
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -207.723370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.723370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.723370 (E_RNA)
where:
Base-Base interactions energy: -128.894
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.012
local terms energy: -78.818210
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -212.806364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.806364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.806364 (E_RNA)
where:
Base-Base interactions energy: -136.319
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.276
local terms energy: -76.211371
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -195.291470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.291470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.291470 (E_RNA)
where:
Base-Base interactions energy: -116.318
where: short stacking energy: -68.701
Base-Backbone interact. energy: -0.041
local terms energy: -78.932717
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -190.334183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.334183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.334183 (E_RNA)
where:
Base-Base interactions energy: -118.514
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.212
local terms energy: -71.607827
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -108.298732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.298732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.298732 (E_RNA)
where:
Base-Base interactions energy: -48.563
where: short stacking energy: -46.917
Base-Backbone interact. energy: -0.100
local terms energy: -59.636334
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -139.958065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.958065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.958065 (E_RNA)
where:
Base-Base interactions energy: -84.856
where: short stacking energy: -47.048
Base-Backbone interact. energy: -0.182
local terms energy: -54.919370
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -73.150276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.150276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.150276 (E_RNA)
where:
Base-Base interactions energy: -25.715
where: short stacking energy: -21.653
Base-Backbone interact. energy: -0.096
local terms energy: -47.339387
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -81.463514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.463514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.463514 (E_RNA)
where:
Base-Base interactions energy: -27.297
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.107
local terms energy: -54.059727
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -218.920970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.920970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.920970 (E_RNA)
where:
Base-Base interactions energy: -137.212
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.002
local terms energy: -81.706855
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -224.623529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.623529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.623529 (E_RNA)
where:
Base-Base interactions energy: -141.064
where: short stacking energy: -76.986
Base-Backbone interact. energy: -0.010
local terms energy: -83.550039
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -212.730300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.730300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.730300 (E_RNA)
where:
Base-Base interactions energy: -139.105
where: short stacking energy: -79.199
Base-Backbone interact. energy: -0.082
local terms energy: -73.542795
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -9.380
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: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -189.757185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.757185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.757185 (E_RNA)
where:
Base-Base interactions energy: -116.741
where: short stacking energy: -64.945
Base-Backbone interact. energy: 1.578
local terms energy: -74.593644
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -203.993951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993951 (E_RNA)
where:
Base-Base interactions energy: -135.703
where: short stacking energy: -71.680
Base-Backbone interact. energy: -0.005
local terms energy: -68.285859
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -195.915963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.915963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.915963 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.099
local terms energy: -75.023355
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -12.804
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: 7, replica: 8
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -140.562393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.562393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.562393 (E_RNA)
where:
Base-Base interactions energy: -84.069
where: short stacking energy: -48.715
Base-Backbone interact. energy: -0.163
local terms energy: -56.329629
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -8.930
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: 202
Temperature: 1.250000
Total energy: -106.104572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.104572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.104572 (E_RNA)
where:
Base-Base interactions energy: -53.998
where: short stacking energy: -28.066
Base-Backbone interact. energy: -0.138
local terms energy: -51.968116
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -11.392
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.473915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473915 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -31.629
Base-Backbone interact. energy: -0.250
local terms energy: -55.900642
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -85.098415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.098415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.098415 (E_RNA)
where:
Base-Base interactions energy: -32.978
where: short stacking energy: -30.709
Base-Backbone interact. energy: -0.009
local terms energy: -52.111864
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -225.501847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.501847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.501847 (E_RNA)
where:
Base-Base interactions energy: -141.506
where: short stacking energy: -75.696
Base-Backbone interact. energy: -0.044
local terms energy: -83.951106
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -21.869
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -218.182206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.182206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.182206 (E_RNA)
where:
Base-Base interactions energy: -135.502
where: short stacking energy: -67.818
Base-Backbone interact. energy: -0.094
local terms energy: -82.585783
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -25.001
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: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -222.588467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.588467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.588467 (E_RNA)
where:
Base-Base interactions energy: -143.542
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.001
local terms energy: -79.045858
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -210.672032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.672032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.672032 (E_RNA)
where:
Base-Base interactions energy: -129.846
where: short stacking energy: -72.245
Base-Backbone interact. energy: -0.368
local terms energy: -80.457751
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -199.369530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.369530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.369530 (E_RNA)
where:
Base-Base interactions energy: -126.410
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.043
local terms energy: -72.916680
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -183.830928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.830928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.830928 (E_RNA)
where:
Base-Base interactions energy: -119.795
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.057
local terms energy: -63.979103
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -138.909079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.909079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.909079 (E_RNA)
where:
Base-Base interactions energy: -80.311
where: short stacking energy: -39.036
Base-Backbone interact. energy: -0.002
local terms energy: -58.596363
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -8.241
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: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -84.779381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.779381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.779381 (E_RNA)
where:
Base-Base interactions energy: -34.704
where: short stacking energy: -34.685
Base-Backbone interact. energy: -0.265
local terms energy: -49.809988
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -77.412134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412134 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.162
local terms energy: -43.274357
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -74.564947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.564947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.564947 (E_RNA)
where:
Base-Base interactions energy: -27.572
where: short stacking energy: -24.040
Base-Backbone interact. energy: -0.103
local terms energy: -46.889694
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: 0.185
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: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -225.782413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.782413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.782413 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -78.203
Base-Backbone interact. energy: -0.057
local terms energy: -80.266624
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -24.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -219.776541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.776541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.776541 (E_RNA)
where:
Base-Base interactions energy: -133.839
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.096
local terms energy: -85.841494
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -24.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -221.412367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.412367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.412367 (E_RNA)
where:
Base-Base interactions energy: -149.423
where: short stacking energy: -82.911
Base-Backbone interact. energy: -0.016
local terms energy: -71.973294
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.361
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: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -210.329939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.329939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.329939 (E_RNA)
where:
Base-Base interactions energy: -130.786
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.005
local terms energy: -79.538555
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -181.936516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.936516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.936516 (E_RNA)
where:
Base-Base interactions energy: -117.720
where: short stacking energy: -64.996
Base-Backbone interact. energy: -0.077
local terms energy: -64.140133
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -4.675
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: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -180.546998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.546998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.546998 (E_RNA)
where:
Base-Base interactions energy: -112.527
where: short stacking energy: -50.439
Base-Backbone interact. energy: -0.603
local terms energy: -67.416381
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -12.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -147.478962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.478962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.478962 (E_RNA)
where:
Base-Base interactions energy: -94.619
where: short stacking energy: -57.235
Base-Backbone interact. energy: 0.352
local terms energy: -53.212161
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -93.366291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.366291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.366291 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -38.985
Base-Backbone interact. energy: -0.180
local terms energy: -54.201341
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -90.470592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.470592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.470592 (E_RNA)
where:
Base-Base interactions energy: -32.671
where: short stacking energy: -31.668
Base-Backbone interact. energy: -0.052
local terms energy: -57.748279
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -4.520
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: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -79.797907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.797907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.797907 (E_RNA)
where:
Base-Base interactions energy: -23.797
where: short stacking energy: -23.797
Base-Backbone interact. energy: -0.071
local terms energy: -55.929509
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -228.762569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.762569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.762569 (E_RNA)
where:
Base-Base interactions energy: -143.199
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.052
local terms energy: -85.511347
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -23.736
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: 3
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -218.752263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.752263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.752263 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -76.647
Base-Backbone interact. energy: -0.022
local terms energy: -73.859831
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -12.580
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: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -215.085683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.085683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.085683 (E_RNA)
where:
Base-Base interactions energy: -137.539
where: short stacking energy: -75.973
Base-Backbone interact. energy: 0.344
local terms energy: -77.890845
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -201.212630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.212630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.212630 (E_RNA)
where:
Base-Base interactions energy: -125.969
where: short stacking energy: -68.862
Base-Backbone interact. energy: 0.692
local terms energy: -75.935485
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -203.998039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.998039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.998039 (E_RNA)
where:
Base-Base interactions energy: -128.747
where: short stacking energy: -67.612
Base-Backbone interact. energy: -0.007
local terms energy: -75.243328
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -8.869
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: 205
Temperature: 1.150000
Total energy: -189.190119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.190119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.190119 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.098
local terms energy: -76.485504
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -124.914830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.914830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.914830 (E_RNA)
where:
Base-Base interactions energy: -68.644
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.349
local terms energy: -55.922447
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -101.415918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.415918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.415918 (E_RNA)
where:
Base-Base interactions energy: -37.503
where: short stacking energy: -37.503
Base-Backbone interact. energy: -0.055
local terms energy: -63.858590
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -13.025
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: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -85.100095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.100095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.100095 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.233
local terms energy: -50.452287
where:
bonds (distance) C4'-P energy: -7.171
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -4.028
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -82.526248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.526248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.526248 (E_RNA)
where:
Base-Base interactions energy: -26.124
where: short stacking energy: -26.026
Base-Backbone interact. energy: -0.067
local terms energy: -56.335348
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -224.799347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.799347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.799347 (E_RNA)
where:
Base-Base interactions energy: -143.842
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.030
local terms energy: -80.926607
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.465
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: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -225.215283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.215283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.215283 (E_RNA)
where:
Base-Base interactions energy: -141.714
where: short stacking energy: -80.960
Base-Backbone interact. energy: -0.025
local terms energy: -83.476348
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -22.395
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: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -207.573009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.573009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.573009 (E_RNA)
where:
Base-Base interactions energy: -127.492
where: short stacking energy: -63.088
Base-Backbone interact. energy: -0.081
local terms energy: -79.999595
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -206.326438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.326438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.326438 (E_RNA)
where:
Base-Base interactions energy: -135.500
where: short stacking energy: -70.814
Base-Backbone interact. energy: -0.011
local terms energy: -70.815428
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.839
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: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -192.489943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.489943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.489943 (E_RNA)
where:
Base-Base interactions energy: -120.158
where: short stacking energy: -60.070
Base-Backbone interact. energy: -0.118
local terms energy: -72.213829
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -199.118847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.118847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.118847 (E_RNA)
where:
Base-Base interactions energy: -118.781
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.003
local terms energy: -80.334103
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -100.441450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.441450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.441450 (E_RNA)
where:
Base-Base interactions energy: -39.444
where: short stacking energy: -39.444
Base-Backbone interact. energy: -0.580
local terms energy: -60.417627
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -95.126326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.126326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.126326 (E_RNA)
where:
Base-Base interactions energy: -41.667
where: short stacking energy: -38.653
Base-Backbone interact. energy: -0.161
local terms energy: -53.298177
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -7.542
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -8.064
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: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -102.433201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.433201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.433201 (E_RNA)
where:
Base-Base interactions energy: -50.160
where: short stacking energy: -36.518
Base-Backbone interact. energy: 0.614
local terms energy: -52.887071
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -8.023
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: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -79.807363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.807363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.807363 (E_RNA)
where:
Base-Base interactions energy: -23.404
where: short stacking energy: -21.025
Base-Backbone interact. energy: 0.764
local terms energy: -57.167253
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -223.271253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.271253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.271253 (E_RNA)
where:
Base-Base interactions energy: -140.193
where: short stacking energy: -79.616
Base-Backbone interact. energy: -0.001
local terms energy: -83.076904
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.436
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: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -217.793017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.793017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.793017 (E_RNA)
where:
Base-Base interactions energy: -137.228
where: short stacking energy: -70.868
Base-Backbone interact. energy: -0.132
local terms energy: -80.433230
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -12.837
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: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -215.035121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.035121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.035121 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -76.242
Base-Backbone interact. energy: -0.007
local terms energy: -76.233679
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -19.357
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: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -204.351850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.351850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.351850 (E_RNA)
where:
Base-Base interactions energy: -131.949
where: short stacking energy: -67.546
Base-Backbone interact. energy: 1.581
local terms energy: -73.983636
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -206.577675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.577675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.577675 (E_RNA)
where:
Base-Base interactions energy: -128.908
where: short stacking energy: -66.440
Base-Backbone interact. energy: -0.041
local terms energy: -77.629338
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -191.933994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.933994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.933994 (E_RNA)
where:
Base-Base interactions energy: -119.079
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.200
local terms energy: -72.654416
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -103.789857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.789857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.789857 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -31.412
Base-Backbone interact. energy: -0.690
local terms energy: -65.318922
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -88.250864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.250864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.250864 (E_RNA)
where:
Base-Base interactions energy: -34.407
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.111
local terms energy: -53.732944
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -3.124
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: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -86.944667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.944667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.944667 (E_RNA)
where:
Base-Base interactions energy: -34.649
where: short stacking energy: -33.023
Base-Backbone interact. energy: -1.014
local terms energy: -51.281198
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -5.684
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -75.456136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.456136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.456136 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -26.539
Base-Backbone interact. energy: 0.439
local terms energy: -49.355792
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -1.785
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: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -214.521652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.521652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.521652 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -68.114
Base-Backbone interact. energy: 0.069
local terms energy: -75.319042
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -219.355368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.355368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.355368 (E_RNA)
where:
Base-Base interactions energy: -139.562
where: short stacking energy: -74.949
Base-Backbone interact. energy: -0.071
local terms energy: -79.721892
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -203.245178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.245178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.245178 (E_RNA)
where:
Base-Base interactions energy: -135.651
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.156
local terms energy: -67.438274
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -10.838
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -213.419371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.419371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.419371 (E_RNA)
where:
Base-Base interactions energy: -130.999
where: short stacking energy: -75.449
Base-Backbone interact. energy: -0.001
local terms energy: -82.419766
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -203.564137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.564137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.564137 (E_RNA)
where:
Base-Base interactions energy: -128.223
where: short stacking energy: -70.683
Base-Backbone interact. energy: -0.186
local terms energy: -75.155073
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -191.393597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.393597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.393597 (E_RNA)
where:
Base-Base interactions energy: -124.784
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.041
local terms energy: -66.568663
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -12.530
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: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -103.408725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.408725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.408725 (E_RNA)
where:
Base-Base interactions energy: -33.590
where: short stacking energy: -33.590
Base-Backbone interact. energy: -0.097
local terms energy: -69.721589
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -8.163
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: 208
Temperature: 1.250000
Total energy: -93.942493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.942493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.942493 (E_RNA)
where:
Base-Base interactions energy: -38.642
where: short stacking energy: -37.729
Base-Backbone interact. energy: -0.111
local terms energy: -55.188654
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -80.128045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.128045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.128045 (E_RNA)
where:
Base-Base interactions energy: -29.532
where: short stacking energy: -27.339
Base-Backbone interact. energy: 0.617
local terms energy: -51.213044
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -0.677
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -71.524156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.524156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.524156 (E_RNA)
where:
Base-Base interactions energy: -22.891
where: short stacking energy: -21.246
Base-Backbone interact. energy: -0.229
local terms energy: -48.404518
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: 6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -219.697024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.697024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.697024 (E_RNA)
where:
Base-Base interactions energy: -139.727
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.073
local terms energy: -79.896300
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -12.888
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: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -215.380617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.380617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.380617 (E_RNA)
where:
Base-Base interactions energy: -140.488
where: short stacking energy: -68.402
Base-Backbone interact. energy: -0.142
local terms energy: -74.750639
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -13.017
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: 2
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -215.174924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.174924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.174924 (E_RNA)
where:
Base-Base interactions energy: -143.602
where: short stacking energy: -77.892
Base-Backbone interact. energy: -0.026
local terms energy: -71.547729
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -22.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -208.721491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.721491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.721491 (E_RNA)
where:
Base-Base interactions energy: -137.851
where: short stacking energy: -66.641
Base-Backbone interact. energy: -0.156
local terms energy: -70.714823
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -209.296363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.296363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.296363 (E_RNA)
where:
Base-Base interactions energy: -133.193
where: short stacking energy: -67.158
Base-Backbone interact. energy: -0.166
local terms energy: -75.937591
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -20.821
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: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -198.945133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.945133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.945133 (E_RNA)
where:
Base-Base interactions energy: -126.420
where: short stacking energy: -71.423
Base-Backbone interact. energy: -0.006
local terms energy: -72.519127
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -22.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -92.416793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.416793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.416793 (E_RNA)
where:
Base-Base interactions energy: -42.223
where: short stacking energy: -26.431
Base-Backbone interact. energy: 1.423
local terms energy: -51.616811
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -84.465602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.465602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.465602 (E_RNA)
where:
Base-Base interactions energy: -24.539
where: short stacking energy: -19.723
Base-Backbone interact. energy: -0.374
local terms energy: -59.553127
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -90.359975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359975 (E_RNA)
where:
Base-Base interactions energy: -41.721
where: short stacking energy: -41.721
Base-Backbone interact. energy: -0.145
local terms energy: -48.494277
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -6.696
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -7.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -80.701068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701068 (E_RNA)
where:
Base-Base interactions energy: -34.619
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.374
local terms energy: -45.708146
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -9.441
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: 1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -227.275265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.275265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.275265 (E_RNA)
where:
Base-Base interactions energy: -148.596
where: short stacking energy: -78.580
Base-Backbone interact. energy: -0.270
local terms energy: -78.409220
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -216.217103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.217103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.217103 (E_RNA)
where:
Base-Base interactions energy: -136.215
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.011
local terms energy: -79.990770
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -22.560
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: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -228.517691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.517691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.517691 (E_RNA)
where:
Base-Base interactions energy: -147.803
where: short stacking energy: -84.383
Base-Backbone interact. energy: -0.034
local terms energy: -80.680110
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -208.238101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.238101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.238101 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -65.410
Base-Backbone interact. energy: 0.082
local terms energy: -70.016965
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.458
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: 5, replica: 5
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -194.063984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.063984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.063984 (E_RNA)
where:
Base-Base interactions energy: -116.372
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.030
local terms energy: -77.662751
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -13.677
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: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -196.749356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.749356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.749356 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.334
local terms energy: -66.640163
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -94.124199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.124199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.124199 (E_RNA)
where:
Base-Base interactions energy: -40.296
where: short stacking energy: -40.296
Base-Backbone interact. energy: 0.938
local terms energy: -54.765467
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -6.983
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: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -86.265858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.265858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.265858 (E_RNA)
where:
Base-Base interactions energy: -32.485
where: short stacking energy: -32.658
Base-Backbone interact. energy: -0.108
local terms energy: -53.672338
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -88.536854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.536854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.536854 (E_RNA)
where:
Base-Base interactions energy: -37.083
where: short stacking energy: -37.083
Base-Backbone interact. energy: 0.265
local terms energy: -51.718523
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -1.974
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -76.989316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.989316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.989316 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.113
local terms energy: -47.430384
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -226.635253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.635253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.635253 (E_RNA)
where:
Base-Base interactions energy: -141.360
where: short stacking energy: -73.799
Base-Backbone interact. energy: -1.285
local terms energy: -83.990079
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -24.033
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: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -224.675674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.675674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.675674 (E_RNA)
where:
Base-Base interactions energy: -145.989
where: short stacking energy: -83.583
Base-Backbone interact. energy: -0.001
local terms energy: -78.686288
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -15.180
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: 1
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -211.987756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.987756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.987756 (E_RNA)
where:
Base-Base interactions energy: -128.147
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.001
local terms energy: -83.840054
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -11.988
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: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -204.706282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.706282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.706282 (E_RNA)
where:
Base-Base interactions energy: -126.054
where: short stacking energy: -61.388
Base-Backbone interact. energy: -0.211
local terms energy: -78.441463
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -208.891918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.891918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.891918 (E_RNA)
where:
Base-Base interactions energy: -125.731
where: short stacking energy: -67.836
Base-Backbone interact. energy: 0.680
local terms energy: -83.840534
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -22.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -198.143321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.143321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.143321 (E_RNA)
where:
Base-Base interactions energy: -125.681
where: short stacking energy: -65.553
Base-Backbone interact. energy: -0.092
local terms energy: -72.370221
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -13.624
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: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -96.873874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.873874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.873874 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -39.796
Base-Backbone interact. energy: -0.199
local terms energy: -56.214311
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -107.370123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.370123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.370123 (E_RNA)
where:
Base-Base interactions energy: -61.944
where: short stacking energy: -28.615
Base-Backbone interact. energy: 0.000
local terms energy: -45.426493
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: 1.761
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: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -93.923194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.923194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.923194 (E_RNA)
where:
Base-Base interactions energy: -36.512
where: short stacking energy: -36.512
Base-Backbone interact. energy: 0.978
local terms energy: -58.389374
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -85.174548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.174548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.174548 (E_RNA)
where:
Base-Base interactions energy: -32.712
where: short stacking energy: -30.409
Base-Backbone interact. energy: -0.553
local terms energy: -51.909461
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -231.388564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.388564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.388564 (E_RNA)
where:
Base-Base interactions energy: -144.426
where: short stacking energy: -81.400
Base-Backbone interact. energy: -0.005
local terms energy: -86.958166
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -19.814
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -25.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -223.763231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.763231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.763231 (E_RNA)
where:
Base-Base interactions energy: -138.391
where: short stacking energy: -78.174
Base-Backbone interact. energy: -0.102
local terms energy: -85.270257
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -15.611
tors. eta vs tors. theta energy: -22.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -212.405179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.405179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.405179 (E_RNA)
where:
Base-Base interactions energy: -134.787
where: short stacking energy: -72.997
Base-Backbone interact. energy: -0.100
local terms energy: -77.518271
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -209.228317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.228317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.228317 (E_RNA)
where:
Base-Base interactions energy: -128.396
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.582
local terms energy: -80.249890
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -201.507077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.507077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.507077 (E_RNA)
where:
Base-Base interactions energy: -128.429
where: short stacking energy: -68.512
Base-Backbone interact. energy: -0.021
local terms energy: -73.056968
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -205.239859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.239859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.239859 (E_RNA)
where:
Base-Base interactions energy: -130.228
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.036
local terms energy: -74.975610
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -106.087400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.087400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.087400 (E_RNA)
where:
Base-Base interactions energy: -41.507
where: short stacking energy: -36.665
Base-Backbone interact. energy: -0.142
local terms energy: -64.437955
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -9.972
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: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -94.672196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.672196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.672196 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -29.401
Base-Backbone interact. energy: -0.313
local terms energy: -57.920854
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -9.335
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: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -91.958092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958092 (E_RNA)
where:
Base-Base interactions energy: -35.734
where: short stacking energy: -35.734
Base-Backbone interact. energy: 0.876
local terms energy: -57.099802
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -6.789
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: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -92.650487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.650487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.650487 (E_RNA)
where:
Base-Base interactions energy: -40.589
where: short stacking energy: -29.172
Base-Backbone interact. energy: -0.051
local terms energy: -52.009778
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -226.243662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.243662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.243662 (E_RNA)
where:
Base-Base interactions energy: -141.248
where: short stacking energy: -78.327
Base-Backbone interact. energy: -0.006
local terms energy: -84.989851
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -221.855182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.855182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.855182 (E_RNA)
where:
Base-Base interactions energy: -145.668
where: short stacking energy: -77.171
Base-Backbone interact. energy: -0.532
local terms energy: -75.654892
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -23.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -209.076200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.076200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.076200 (E_RNA)
where:
Base-Base interactions energy: -124.649
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.031
local terms energy: -84.396487
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -204.286447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.286447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.286447 (E_RNA)
where:
Base-Base interactions energy: -127.406
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.008
local terms energy: -76.872448
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -217.949802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.949802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.949802 (E_RNA)
where:
Base-Base interactions energy: -139.969
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.008
local terms energy: -77.972877
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -13.121
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: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -195.692557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.692557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.692557 (E_RNA)
where:
Base-Base interactions energy: -121.145
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.010
local terms energy: -74.536771
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -151.141295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.141295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.141295 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -47.134
Base-Backbone interact. energy: -0.117
local terms energy: -55.499293
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -92.343236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.343236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.343236 (E_RNA)
where:
Base-Base interactions energy: -40.923
where: short stacking energy: -33.973
Base-Backbone interact. energy: -0.191
local terms energy: -51.229256
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -5.481
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: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -99.374070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.374070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.374070 (E_RNA)
where:
Base-Base interactions energy: -38.861
where: short stacking energy: -33.376
Base-Backbone interact. energy: -0.253
local terms energy: -60.260760
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -4.405
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -83.180426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.180426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.180426 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -30.353
Base-Backbone interact. energy: -0.191
local terms energy: -52.636266
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -212.651145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.651145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.651145 (E_RNA)
where:
Base-Base interactions energy: -135.901
where: short stacking energy: -70.171
Base-Backbone interact. energy: -0.269
local terms energy: -76.481620
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -16.774
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: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -222.285035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.285035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.285035 (E_RNA)
where:
Base-Base interactions energy: -142.410
where: short stacking energy: -76.675
Base-Backbone interact. energy: -0.108
local terms energy: -79.767171
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -10.954
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: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -209.872134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.872134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.872134 (E_RNA)
where:
Base-Base interactions energy: -135.268
where: short stacking energy: -71.969
Base-Backbone interact. energy: 0.244
local terms energy: -74.847333
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -8.712
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: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -204.364987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.364987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.364987 (E_RNA)
where:
Base-Base interactions energy: -125.369
where: short stacking energy: -64.086
Base-Backbone interact. energy: -0.119
local terms energy: -78.877426
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -201.138902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.138902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.138902 (E_RNA)
where:
Base-Base interactions energy: -134.836
where: short stacking energy: -64.061
Base-Backbone interact. energy: 2.331
local terms energy: -68.633681
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -199.673904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.673904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.673904 (E_RNA)
where:
Base-Base interactions energy: -128.432
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.026
local terms energy: -71.216839
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -157.937670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.937670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.937670 (E_RNA)
where:
Base-Base interactions energy: -97.645
where: short stacking energy: -42.515
Base-Backbone interact. energy: -0.052
local terms energy: -60.240955
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -88.686610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686610 (E_RNA)
where:
Base-Base interactions energy: -41.557
where: short stacking energy: -33.724
Base-Backbone interact. energy: -0.124
local terms energy: -47.004822
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -86.836019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.836019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.836019 (E_RNA)
where:
Base-Base interactions energy: -33.713
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.027
local terms energy: -53.096223
where:
bonds (distance) C4'-P energy: -14.147
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -88.645137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.645137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.645137 (E_RNA)
where:
Base-Base interactions energy: -28.162
where: short stacking energy: -28.162
Base-Backbone interact. energy: 0.425
local terms energy: -60.908036
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -14.842
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: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -216.286450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.286450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.286450 (E_RNA)
where:
Base-Base interactions energy: -143.207
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.101
local terms energy: -72.978838
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -11.955
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: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -225.703720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.703720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.703720 (E_RNA)
where:
Base-Base interactions energy: -141.429
where: short stacking energy: -79.162
Base-Backbone interact. energy: -0.053
local terms energy: -84.221084
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -204.860376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.860376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.860376 (E_RNA)
where:
Base-Base interactions energy: -127.554
where: short stacking energy: -66.678
Base-Backbone interact. energy: -0.025
local terms energy: -77.280739
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -6.201
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: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -186.095354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.095354 (E_RNA)
where:
Base-Base interactions energy: -118.642
where: short stacking energy: -64.120
Base-Backbone interact. energy: -0.006
local terms energy: -67.447907
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -185.931999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.931999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.931999 (E_RNA)
where:
Base-Base interactions energy: -118.947
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.159
local terms energy: -66.826631
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -16.167
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: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -171.149757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.149757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.149757 (E_RNA)
where:
Base-Base interactions energy: -107.523
where: short stacking energy: -44.584
Base-Backbone interact. energy: 0.991
local terms energy: -64.618569
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -11.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -192.339794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.339794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.339794 (E_RNA)
where:
Base-Base interactions energy: -120.520
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.229
local terms energy: -71.590206
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -17.710
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: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -88.995661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.995661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.995661 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -31.685
Base-Backbone interact. energy: -0.190
local terms energy: -51.006746
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -97.718132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.718132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.718132 (E_RNA)
where:
Base-Base interactions energy: -32.925
where: short stacking energy: -33.325
Base-Backbone interact. energy: -0.113
local terms energy: -64.679653
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -81.228813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.228813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.228813 (E_RNA)
where:
Base-Base interactions energy: -26.832
where: short stacking energy: -21.853
Base-Backbone interact. energy: -0.110
local terms energy: -54.286737
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -225.972475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.972475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.972475 (E_RNA)
where:
Base-Base interactions energy: -147.395
where: short stacking energy: -80.569
Base-Backbone interact. energy: -0.059
local terms energy: -78.518067
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -223.452212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.452212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.452212 (E_RNA)
where:
Base-Base interactions energy: -141.772
where: short stacking energy: -79.501
Base-Backbone interact. energy: -0.004
local terms energy: -81.675792
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -200.595693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.595693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.595693 (E_RNA)
where:
Base-Base interactions energy: -130.657
where: short stacking energy: -75.299
Base-Backbone interact. energy: -0.060
local terms energy: -69.878234
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -206.867669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.867669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.867669 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.249
local terms energy: -79.553852
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -19.062
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: 216
Temperature: 1.100000
Total energy: -201.750577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.750577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.750577 (E_RNA)
where:
Base-Base interactions energy: -125.101
where: short stacking energy: -63.112
Base-Backbone interact. energy: -0.021
local terms energy: -76.628390
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.514
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: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -151.543178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.543178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.543178 (E_RNA)
where:
Base-Base interactions energy: -94.524
where: short stacking energy: -42.607
Base-Backbone interact. energy: 0.644
local terms energy: -57.664020
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -2.030
tors. eta vs tors. theta energy: -10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -186.492788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.492788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.492788 (E_RNA)
where:
Base-Base interactions energy: -118.445
where: short stacking energy: -71.469
Base-Backbone interact. energy: -0.058
local terms energy: -67.989941
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -9.118
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -9.201
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: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -89.138270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.138270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.138270 (E_RNA)
where:
Base-Base interactions energy: -30.448
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.092
local terms energy: -58.598032
where:
bonds (distance) C4'-P energy: -6.978
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -10.073
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: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -82.699786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.699786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.699786 (E_RNA)
where:
Base-Base interactions energy: -34.068
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.022
local terms energy: -48.609900
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -9.738
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -74.803173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.803173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.803173 (E_RNA)
where:
Base-Base interactions energy: -36.794
where: short stacking energy: -22.948
Base-Backbone interact. energy: -0.154
local terms energy: -37.855097
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -5.544
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -229.729728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.729728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.729728 (E_RNA)
where:
Base-Base interactions energy: -142.461
where: short stacking energy: -73.401
Base-Backbone interact. energy: -0.020
local terms energy: -87.248701
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -23.677
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: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -198.703187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.703187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.703187 (E_RNA)
where:
Base-Base interactions energy: -123.390
where: short stacking energy: -66.334
Base-Backbone interact. energy: -0.010
local terms energy: -75.302496
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -220.887408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.887408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.887408 (E_RNA)
where:
Base-Base interactions energy: -141.869
where: short stacking energy: -81.685
Base-Backbone interact. energy: -0.046
local terms energy: -78.972923
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -9.797
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: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -204.788886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.788886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.788886 (E_RNA)
where:
Base-Base interactions energy: -135.308
where: short stacking energy: -75.976
Base-Backbone interact. energy: -0.030
local terms energy: -69.450481
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.801
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: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -190.095300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.095300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.095300 (E_RNA)
where:
Base-Base interactions energy: -119.063
where: short stacking energy: -64.167
Base-Backbone interact. energy: -0.645
local terms energy: -70.386855
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -12.741
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: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -151.655441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655441 (E_RNA)
where:
Base-Base interactions energy: -83.145
where: short stacking energy: -51.308
Base-Backbone interact. energy: -0.001
local terms energy: -68.510357
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -159.514469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.514469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.514469 (E_RNA)
where:
Base-Base interactions energy: -91.518
where: short stacking energy: -49.760
Base-Backbone interact. energy: -0.027
local terms energy: -67.968716
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -89.360040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.360040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.360040 (E_RNA)
where:
Base-Base interactions energy: -30.706
where: short stacking energy: -30.706
Base-Backbone interact. energy: -0.142
local terms energy: -58.512375
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -2.445
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: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -97.792986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.792986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.792986 (E_RNA)
where:
Base-Base interactions energy: -44.900
where: short stacking energy: -27.205
Base-Backbone interact. energy: 0.408
local terms energy: -53.300618
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: 2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -123.600582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.600582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.600582 (E_RNA)
where:
Base-Base interactions energy: -66.098
where: short stacking energy: -34.229
Base-Backbone interact. energy: -0.127
local terms energy: -57.375379
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -222.441070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.441070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.441070 (E_RNA)
where:
Base-Base interactions energy: -138.688
where: short stacking energy: -70.864
Base-Backbone interact. energy: -0.262
local terms energy: -83.490734
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -221.653304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.653304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.653304 (E_RNA)
where:
Base-Base interactions energy: -137.979
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.008
local terms energy: -83.665782
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -20.931
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: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -214.006224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.006224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.006224 (E_RNA)
where:
Base-Base interactions energy: -133.220
where: short stacking energy: -74.697
Base-Backbone interact. energy: -0.003
local terms energy: -80.782491
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -24.883
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -211.291633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.291633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.291633 (E_RNA)
where:
Base-Base interactions energy: -139.727
where: short stacking energy: -77.832
Base-Backbone interact. energy: -0.053
local terms energy: -71.511615
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -188.968291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.968291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.968291 (E_RNA)
where:
Base-Base interactions energy: -118.128
where: short stacking energy: -65.380
Base-Backbone interact. energy: -0.212
local terms energy: -70.627707
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -9.622
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: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -136.928398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.928398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.928398 (E_RNA)
where:
Base-Base interactions energy: -77.354
where: short stacking energy: -35.988
Base-Backbone interact. energy: -0.140
local terms energy: -59.434444
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -9.515
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: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -184.849087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.849087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.849087 (E_RNA)
where:
Base-Base interactions energy: -117.040
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.394
local terms energy: -67.414623
where:
bonds (distance) C4'-P energy: -6.741
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -100.432970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.432970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.432970 (E_RNA)
where:
Base-Base interactions energy: -45.641
where: short stacking energy: -45.641
Base-Backbone interact. energy: -0.016
local terms energy: -54.776265
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -115.977806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.977806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.977806 (E_RNA)
where:
Base-Base interactions energy: -61.472
where: short stacking energy: -33.308
Base-Backbone interact. energy: -0.221
local terms energy: -54.285425
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -90.998784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.998784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.998784 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.072
local terms energy: -53.420013
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -221.096386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.096386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096386 (E_RNA)
where:
Base-Base interactions energy: -137.895
where: short stacking energy: -72.489
Base-Backbone interact. energy: -0.002
local terms energy: -83.199435
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -10.434
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: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -221.873587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.873587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.873587 (E_RNA)
where:
Base-Base interactions energy: -139.051
where: short stacking energy: -74.712
Base-Backbone interact. energy: -0.717
local terms energy: -82.105054
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -211.059603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.059603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.059603 (E_RNA)
where:
Base-Base interactions energy: -130.975
where: short stacking energy: -65.397
Base-Backbone interact. energy: -0.016
local terms energy: -80.068086
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -13.617
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: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -198.560957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.560957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.560957 (E_RNA)
where:
Base-Base interactions energy: -131.612
where: short stacking energy: -66.125
Base-Backbone interact. energy: -0.113
local terms energy: -66.836159
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -10.028
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: 219
Temperature: 1.100000
Total energy: -196.408466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.408466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.408466 (E_RNA)
where:
Base-Base interactions energy: -125.333
where: short stacking energy: -66.402
Base-Backbone interact. energy: -0.634
local terms energy: -70.441800
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -13.608
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: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -194.267801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.267801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.267801 (E_RNA)
where:
Base-Base interactions energy: -128.050
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.051
local terms energy: -66.166920
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -134.234471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.234471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.234471 (E_RNA)
where:
Base-Base interactions energy: -72.365
where: short stacking energy: -42.893
Base-Backbone interact. energy: -0.172
local terms energy: -61.698100
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -100.563015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.563015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.563015 (E_RNA)
where:
Base-Base interactions energy: -39.066
where: short stacking energy: -39.066
Base-Backbone interact. energy: -0.146
local terms energy: -61.350951
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -83.511686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.511686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.511686 (E_RNA)
where:
Base-Base interactions energy: -29.409
where: short stacking energy: -29.409
Base-Backbone interact. energy: 3.461
local terms energy: -57.563322
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -79.242610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.242610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.242610 (E_RNA)
where:
Base-Base interactions energy: -23.460
where: short stacking energy: -23.460
Base-Backbone interact. energy: 1.790
local terms energy: -57.573161
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -6.041
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: 220
Temperature: 0.900000
Total energy: -220.699624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.699624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.699624 (E_RNA)
where:
Base-Base interactions energy: -138.734
where: short stacking energy: -69.740
Base-Backbone interact. energy: -0.830
local terms energy: -81.136016
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -11.153
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: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -224.235813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.235813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.235813 (E_RNA)
where:
Base-Base interactions energy: -144.502
where: short stacking energy: -75.901
Base-Backbone interact. energy: -0.041
local terms energy: -79.692722
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -22.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -211.115705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115705 (E_RNA)
where:
Base-Base interactions energy: -136.957
where: short stacking energy: -76.191
Base-Backbone interact. energy: -0.102
local terms energy: -74.056859
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -200.211280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.211280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.211280 (E_RNA)
where:
Base-Base interactions energy: -119.384
where: short stacking energy: -70.107
Base-Backbone interact. energy: -0.030
local terms energy: -80.797502
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -9.671
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: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -201.041172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.041172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.041172 (E_RNA)
where:
Base-Base interactions energy: -131.292
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.043
local terms energy: -69.706475
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -182.692595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.692595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.692595 (E_RNA)
where:
Base-Base interactions energy: -116.158
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.003
local terms energy: -66.531326
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -98.324710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.324710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.324710 (E_RNA)
where:
Base-Base interactions energy: -42.652
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.109
local terms energy: -55.563078
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -133.140615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.140615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.140615 (E_RNA)
where:
Base-Base interactions energy: -77.936
where: short stacking energy: -48.453
Base-Backbone interact. energy: -0.012
local terms energy: -55.192520
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -3.408
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -83.544310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.544310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.544310 (E_RNA)
where:
Base-Base interactions energy: -36.172
where: short stacking energy: -22.656
Base-Backbone interact. energy: -0.312
local terms energy: -47.060009
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -86.319122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.319122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.319122 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -30.351
Base-Backbone interact. energy: -0.052
local terms energy: -55.916138
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -215.852473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.852473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.852473 (E_RNA)
where:
Base-Base interactions energy: -141.310
where: short stacking energy: -77.394
Base-Backbone interact. energy: -0.029
local terms energy: -74.513565
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -214.739956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.739956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.739956 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -70.448
Base-Backbone interact. energy: 1.805
local terms energy: -80.525907
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -20.706
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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -206.876268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.876268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.876268 (E_RNA)
where:
Base-Base interactions energy: -129.829
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.502
local terms energy: -76.545297
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -200.077309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.077309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.077309 (E_RNA)
where:
Base-Base interactions energy: -123.893
where: short stacking energy: -67.866
Base-Backbone interact. energy: -0.014
local terms energy: -76.169418
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -10.766
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: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -184.526997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.526997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.526997 (E_RNA)
where:
Base-Base interactions energy: -116.270
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.078
local terms energy: -68.179696
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -179.049418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.049418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.049418 (E_RNA)
where:
Base-Base interactions energy: -111.311
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.148
local terms energy: -67.589928
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -106.774347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.774347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.774347 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -44.910
Base-Backbone interact. energy: 2.361
local terms energy: -64.225887
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -11.853
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: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -98.845924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.845924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.845924 (E_RNA)
where:
Base-Base interactions energy: -53.555
where: short stacking energy: -24.436
Base-Backbone interact. energy: -0.169
local terms energy: -45.121884
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -95.314730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.314730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.314730 (E_RNA)
where:
Base-Base interactions energy: -53.448
where: short stacking energy: -31.128
Base-Backbone interact. energy: -0.246
local terms energy: -41.620146
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -88.658232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.658232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.658232 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -37.936
Base-Backbone interact. energy: -0.195
local terms energy: -50.035593
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -6.428
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: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -220.732912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.732912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.732912 (E_RNA)
where:
Base-Base interactions energy: -142.917
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.241
local terms energy: -77.574537
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -11.831
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: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -219.620853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.620853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.620853 (E_RNA)
where:
Base-Base interactions energy: -135.964
where: short stacking energy: -77.032
Base-Backbone interact. energy: -0.047
local terms energy: -83.609016
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -214.104338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.104338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.104338 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -76.021
Base-Backbone interact. energy: -0.002
local terms energy: -79.790641
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -196.392564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.392564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.392564 (E_RNA)
where:
Base-Base interactions energy: -123.741
where: short stacking energy: -67.704
Base-Backbone interact. energy: -0.409
local terms energy: -72.242961
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -203.840608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.840608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.840608 (E_RNA)
where:
Base-Base interactions energy: -127.747
where: short stacking energy: -68.751
Base-Backbone interact. energy: -0.019
local terms energy: -76.074046
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -11.444
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: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -187.005884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.005884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.005884 (E_RNA)
where:
Base-Base interactions energy: -119.343
where: short stacking energy: -67.716
Base-Backbone interact. energy: -0.587
local terms energy: -67.075144
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -5.345
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -11.211
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: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -123.999312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.999312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.999312 (E_RNA)
where:
Base-Base interactions energy: -62.865
where: short stacking energy: -43.801
Base-Backbone interact. energy: -0.619
local terms energy: -60.514840
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -100.728096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.728096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.728096 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -43.462
Base-Backbone interact. energy: 1.706
local terms energy: -58.972163
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -11.572
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: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -92.923262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.923262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.923262 (E_RNA)
where:
Base-Base interactions energy: -40.948
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.383
local terms energy: -51.593139
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -76.217607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.217607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.217607 (E_RNA)
where:
Base-Base interactions energy: -27.484
where: short stacking energy: -27.270
Base-Backbone interact. energy: 0.188
local terms energy: -48.922230
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -9.607
flat angles P-C4'-P energy: -9.577
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: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -225.112822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.112822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.112822 (E_RNA)
where:
Base-Base interactions energy: -143.214
where: short stacking energy: -78.866
Base-Backbone interact. energy: -0.002
local terms energy: -81.897464
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -12.439
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: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -211.029802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.029802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.029802 (E_RNA)
where:
Base-Base interactions energy: -132.314
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.030
local terms energy: -78.686016
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -11.730
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: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -214.368857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.368857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.368857 (E_RNA)
where:
Base-Base interactions energy: -142.403
where: short stacking energy: -77.403
Base-Backbone interact. energy: -0.000
local terms energy: -71.965953
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -7.965
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: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -210.772227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.772227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.772227 (E_RNA)
where:
Base-Base interactions energy: -136.929
where: short stacking energy: -74.666
Base-Backbone interact. energy: -0.166
local terms energy: -73.678129
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -22.891
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: 223
Temperature: 1.100000
Total energy: -177.819773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.819773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.819773 (E_RNA)
where:
Base-Base interactions energy: -109.957
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.434
local terms energy: -67.428877
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -7.643
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: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -187.493398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.493398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.493398 (E_RNA)
where:
Base-Base interactions energy: -125.246
where: short stacking energy: -72.131
Base-Backbone interact. energy: -0.001
local terms energy: -62.246773
where:
bonds (distance) C4'-P energy: -2.578
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -97.696693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.696693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.696693 (E_RNA)
where:
Base-Base interactions energy: -45.160
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.185
local terms energy: -52.352087
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -92.365379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.365379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.365379 (E_RNA)
where:
Base-Base interactions energy: -39.994
where: short stacking energy: -40.094
Base-Backbone interact. energy: -0.211
local terms energy: -52.159968
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -89.605337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.605337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.605337 (E_RNA)
where:
Base-Base interactions energy: -37.711
where: short stacking energy: -28.479
Base-Backbone interact. energy: -0.099
local terms energy: -51.794593
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -88.210449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.210449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.210449 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -39.034
Base-Backbone interact. energy: -0.197
local terms energy: -49.765417
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -223.043281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.043281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.043281 (E_RNA)
where:
Base-Base interactions energy: -140.227
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.075
local terms energy: -82.741696
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -13.339
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: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -214.998175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.998175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.998175 (E_RNA)
where:
Base-Base interactions energy: -137.326
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.042
local terms energy: -77.629536
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -201.801903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.801903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.801903 (E_RNA)
where:
Base-Base interactions energy: -131.926
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.114
local terms energy: -69.762213
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -214.712095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.712095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.712095 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.166
local terms energy: -77.099185
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -204.288816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.288816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.288816 (E_RNA)
where:
Base-Base interactions energy: -128.995
where: short stacking energy: -71.065
Base-Backbone interact. energy: -0.021
local terms energy: -75.273423
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -21.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -198.272822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.272822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.272822 (E_RNA)
where:
Base-Base interactions energy: -128.844
where: short stacking energy: -66.476
Base-Backbone interact. energy: -0.020
local terms energy: -69.408636
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -6.741
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: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -125.536667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.536667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.536667 (E_RNA)
where:
Base-Base interactions energy: -78.436
where: short stacking energy: -40.265
Base-Backbone interact. energy: 2.141
local terms energy: -49.241701
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -10.287
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -4.753
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: 224
Temperature: 1.250000
Total energy: -90.063813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.063813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.063813 (E_RNA)
where:
Base-Base interactions energy: -38.466
where: short stacking energy: -34.623
Base-Backbone interact. energy: -0.111
local terms energy: -51.486764
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -85.009286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.009286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.009286 (E_RNA)
where:
Base-Base interactions energy: -28.843
where: short stacking energy: -24.517
Base-Backbone interact. energy: -0.365
local terms energy: -55.801194
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -80.058459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.058459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.058459 (E_RNA)
where:
Base-Base interactions energy: -25.367
where: short stacking energy: -21.922
Base-Backbone interact. energy: 1.993
local terms energy: -56.684401
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -233.592389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.592389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.592389 (E_RNA)
where:
Base-Base interactions energy: -144.255
where: short stacking energy: -80.450
Base-Backbone interact. energy: -0.058
local terms energy: -89.279609
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -24.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -213.756321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.756321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.756321 (E_RNA)
where:
Base-Base interactions energy: -133.466
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.030
local terms energy: -80.259679
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -209.089752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.089752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.089752 (E_RNA)
where:
Base-Base interactions energy: -132.035
where: short stacking energy: -73.017
Base-Backbone interact. energy: 1.287
local terms energy: -78.341641
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -23.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -208.429786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.429786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429786 (E_RNA)
where:
Base-Base interactions energy: -129.949
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.019
local terms energy: -78.461991
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -20.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -203.925254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.925254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.925254 (E_RNA)
where:
Base-Base interactions energy: -132.495
where: short stacking energy: -74.819
Base-Backbone interact. energy: -0.004
local terms energy: -71.426484
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.501
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: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -175.970266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.970266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.970266 (E_RNA)
where:
Base-Base interactions energy: -109.953
where: short stacking energy: -48.463
Base-Backbone interact. energy: -0.052
local terms energy: -65.965267
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -176.962581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.962581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.962581 (E_RNA)
where:
Base-Base interactions energy: -113.047
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.002
local terms energy: -63.914287
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.465
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: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -91.936735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.936735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.936735 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -33.633
Base-Backbone interact. energy: -0.071
local terms energy: -58.232451
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -85.045683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.045683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.045683 (E_RNA)
where:
Base-Base interactions energy: -40.048
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.186
local terms energy: -44.811101
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -2.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -80.447460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.447460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.447460 (E_RNA)
where:
Base-Base interactions energy: -27.624
where: short stacking energy: -25.628
Base-Backbone interact. energy: -0.137
local terms energy: -52.686134
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -231.687864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.687864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.687864 (E_RNA)
where:
Base-Base interactions energy: -146.869
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.001
local terms energy: -84.818595
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -22.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -207.324459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.324459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.324459 (E_RNA)
where:
Base-Base interactions energy: -131.700
where: short stacking energy: -63.623
Base-Backbone interact. energy: -0.122
local terms energy: -75.502070
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -11.340
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: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -218.728436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.728436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.728436 (E_RNA)
where:
Base-Base interactions energy: -137.923
where: short stacking energy: -72.959
Base-Backbone interact. energy: -0.430
local terms energy: -80.375120
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -201.455828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.455828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.455828 (E_RNA)
where:
Base-Base interactions energy: -129.218
where: short stacking energy: -73.929
Base-Backbone interact. energy: -0.066
local terms energy: -72.172670
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -169.071807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.071807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.071807 (E_RNA)
where:
Base-Base interactions energy: -104.518
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.102
local terms energy: -64.451807
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -166.547189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.547189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.547189 (E_RNA)
where:
Base-Base interactions energy: -102.108
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.115
local terms energy: -64.324664
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -187.853438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.853438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.853438 (E_RNA)
where:
Base-Base interactions energy: -119.819
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.113
local terms energy: -67.921920
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -16.766
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: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -100.359484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.359484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.359484 (E_RNA)
where:
Base-Base interactions energy: -41.916
where: short stacking energy: -32.550
Base-Backbone interact. energy: 1.084
local terms energy: -59.527499
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -93.612065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.612065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.612065 (E_RNA)
where:
Base-Base interactions energy: -35.867
where: short stacking energy: -35.867
Base-Backbone interact. energy: -0.380
local terms energy: -57.365692
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -78.068613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.068613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.068613 (E_RNA)
where:
Base-Base interactions energy: -23.644
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.142
local terms energy: -54.281775
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -5.830
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: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -235.820851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.820851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.820851 (E_RNA)
where:
Base-Base interactions energy: -148.813
where: short stacking energy: -83.584
Base-Backbone interact. energy: -0.006
local terms energy: -87.002157
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -22.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -218.212532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.212532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.212532 (E_RNA)
where:
Base-Base interactions energy: -140.244
where: short stacking energy: -79.403
Base-Backbone interact. energy: -0.033
local terms energy: -77.934986
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -10.127
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: 227
Temperature: 1.000000
Total energy: -216.047789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.047789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.047789 (E_RNA)
where:
Base-Base interactions energy: -132.882
where: short stacking energy: -70.706
Base-Backbone interact. energy: -0.012
local terms energy: -83.153329
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -21.118
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: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -212.525873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.525873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.525873 (E_RNA)
where:
Base-Base interactions energy: -134.084
where: short stacking energy: -70.525
Base-Backbone interact. energy: -0.003
local terms energy: -78.439509
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -16.053
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: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -167.818432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.818432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.818432 (E_RNA)
where:
Base-Base interactions energy: -98.504
where: short stacking energy: -51.825
Base-Backbone interact. energy: -0.152
local terms energy: -69.162363
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -10.253
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -193.362652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.362652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.362652 (E_RNA)
where:
Base-Base interactions energy: -123.938
where: short stacking energy: -69.916
Base-Backbone interact. energy: -0.012
local terms energy: -69.412995
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -4.739
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: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -168.953063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.953063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.953063 (E_RNA)
where:
Base-Base interactions energy: -102.526
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.086
local terms energy: -66.340865
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -98.945533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.945533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.945533 (E_RNA)
where:
Base-Base interactions energy: -48.205
where: short stacking energy: -46.156
Base-Backbone interact. energy: -0.112
local terms energy: -50.628465
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -87.776366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.776366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.776366 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -32.217
Base-Backbone interact. energy: 0.177
local terms energy: -55.736073
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -77.350090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.350090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.350090 (E_RNA)
where:
Base-Base interactions energy: -34.396
where: short stacking energy: -33.266
Base-Backbone interact. energy: -0.211
local terms energy: -42.743295
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: 0.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -222.658509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.658509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.658509 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -79.167
Base-Backbone interact. energy: -0.002
local terms energy: -75.876738
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.431
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: 2, replica: 3
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -224.738299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.738299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.738299 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -79.404
Base-Backbone interact. energy: -0.576
local terms energy: -82.635130
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -213.051145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.051145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.051145 (E_RNA)
where:
Base-Base interactions energy: -130.817
where: short stacking energy: -75.833
Base-Backbone interact. energy: -0.051
local terms energy: -82.183427
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -14.597
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: 228
Temperature: 1.050000
Total energy: -203.654042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.654042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.654042 (E_RNA)
where:
Base-Base interactions energy: -132.790
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.213
local terms energy: -70.651537
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -24.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -210.979409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.979409 (E_RNA)
where:
Base-Base interactions energy: -141.388
where: short stacking energy: -77.027
Base-Backbone interact. energy: -0.004
local terms energy: -69.587682
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -183.921759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.921759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.921759 (E_RNA)
where:
Base-Base interactions energy: -115.527
where: short stacking energy: -52.557
Base-Backbone interact. energy: -0.426
local terms energy: -67.968963
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -189.547845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.547845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.547845 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -64.861
Base-Backbone interact. energy: 0.411
local terms energy: -70.599317
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.409
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: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -88.890810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.890810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.890810 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -32.508
Base-Backbone interact. energy: -0.103
local terms energy: -56.279231
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -104.745307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.745307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.745307 (E_RNA)
where:
Base-Base interactions energy: -44.927
where: short stacking energy: -41.760
Base-Backbone interact. energy: -0.134
local terms energy: -59.684599
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -83.330672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.330672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.330672 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -38.829
Base-Backbone interact. energy: -0.100
local terms energy: -44.401607
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -227.286375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.286375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.286375 (E_RNA)
where:
Base-Base interactions energy: -144.579
where: short stacking energy: -75.684
Base-Backbone interact. energy: -0.029
local terms energy: -82.678581
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -24.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -222.681006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.681006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.681006 (E_RNA)
where:
Base-Base interactions energy: -144.519
where: short stacking energy: -80.241
Base-Backbone interact. energy: 0.418
local terms energy: -78.579632
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -7.676
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: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -224.425525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.425525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.425525 (E_RNA)
where:
Base-Base interactions energy: -139.493
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.048
local terms energy: -84.884832
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -24.488
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: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -204.285703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.285703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.285703 (E_RNA)
where:
Base-Base interactions energy: -127.776
where: short stacking energy: -61.577
Base-Backbone interact. energy: -0.001
local terms energy: -76.508870
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -11.184
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: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -189.024630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.024630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.024630 (E_RNA)
where:
Base-Base interactions energy: -121.305
where: short stacking energy: -60.754
Base-Backbone interact. energy: -0.346
local terms energy: -67.373086
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -12.585
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: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -206.299590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.299590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.299590 (E_RNA)
where:
Base-Base interactions energy: -135.261
where: short stacking energy: -73.544
Base-Backbone interact. energy: -0.070
local terms energy: -70.968249
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -178.051876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.051876 (E_RNA)
where:
Base-Base interactions energy: -109.791
where: short stacking energy: -49.627
Base-Backbone interact. energy: -0.428
local terms energy: -67.832627
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -12.237
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: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -83.307082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.307082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.307082 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -31.803
Base-Backbone interact. energy: 0.950
local terms energy: -52.454059
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -87.845090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.845090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.845090 (E_RNA)
where:
Base-Base interactions energy: -37.709
where: short stacking energy: -31.247
Base-Backbone interact. energy: 1.225
local terms energy: -51.361300
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -83.287914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.287914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.287914 (E_RNA)
where:
Base-Base interactions energy: -27.662
where: short stacking energy: -27.662
Base-Backbone interact. energy: -0.571
local terms energy: -55.054145
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -228.244705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.244705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.244705 (E_RNA)
where:
Base-Base interactions energy: -144.308
where: short stacking energy: -76.817
Base-Backbone interact. energy: -0.082
local terms energy: -83.854156
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -220.268867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.268867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.268867 (E_RNA)
where:
Base-Base interactions energy: -132.506
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.007
local terms energy: -87.755862
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -25.486
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: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -208.631838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.631838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.631838 (E_RNA)
where:
Base-Base interactions energy: -137.544
where: short stacking energy: -76.516
Base-Backbone interact. energy: -0.002
local terms energy: -71.086030
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -22.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -218.880684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.880684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.880684 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -76.345
Base-Backbone interact. energy: 0.506
local terms energy: -82.437832
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -23.896
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -200.548052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.548052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.548052 (E_RNA)
where:
Base-Base interactions energy: -125.064
where: short stacking energy: -70.634
Base-Backbone interact. energy: -0.061
local terms energy: -75.422629
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -7.628
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: 6, replica: 4
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -176.396863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.396863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.396863 (E_RNA)
where:
Base-Base interactions energy: -112.656
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.004
local terms energy: -63.737234
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -191.266473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.266473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.266473 (E_RNA)
where:
Base-Base interactions energy: -124.301
where: short stacking energy: -60.068
Base-Backbone interact. energy: -0.145
local terms energy: -66.820596
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -9.419
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -8.982
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: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -96.661467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.661467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.661467 (E_RNA)
where:
Base-Base interactions energy: -33.395
where: short stacking energy: -33.395
Base-Backbone interact. energy: -0.049
local terms energy: -63.217780
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -11.227
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: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -85.909868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.909868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.909868 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -22.372
Base-Backbone interact. energy: -0.184
local terms energy: -52.199094
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -80.638963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.638963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.638963 (E_RNA)
where:
Base-Base interactions energy: -28.779
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.102
local terms energy: -51.758284
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -228.380491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.380491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.380491 (E_RNA)
where:
Base-Base interactions energy: -149.534
where: short stacking energy: -85.664
Base-Backbone interact. energy: -0.000
local terms energy: -78.846155
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -24.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -221.561637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.561637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.561637 (E_RNA)
where:
Base-Base interactions energy: -137.586
where: short stacking energy: -80.081
Base-Backbone interact. energy: -0.014
local terms energy: -83.961746
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -24.251
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: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -210.581037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.581037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.581037 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -75.025
Base-Backbone interact. energy: -0.043
local terms energy: -74.726181
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -17.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -215.784743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.784743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.784743 (E_RNA)
where:
Base-Base interactions energy: -138.429
where: short stacking energy: -77.986
Base-Backbone interact. energy: -0.001
local terms energy: -77.354895
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -12.080
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: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -188.789522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.789522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.789522 (E_RNA)
where:
Base-Base interactions energy: -118.272
where: short stacking energy: -65.498
Base-Backbone interact. energy: 0.380
local terms energy: -70.896893
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -181.861893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.861893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.861893 (E_RNA)
where:
Base-Base interactions energy: -116.946
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.093
local terms energy: -64.823359
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -9.239
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: 7, replica: 4
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -162.939747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.939747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.939747 (E_RNA)
where:
Base-Base interactions energy: -101.915
where: short stacking energy: -48.813
Base-Backbone interact. energy: -0.059
local terms energy: -60.965944
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -3.766
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -99.704327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.704327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.704327 (E_RNA)
where:
Base-Base interactions energy: -42.347
where: short stacking energy: -38.948
Base-Backbone interact. energy: -0.498
local terms energy: -56.858763
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -10.965
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: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -84.685042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.685042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.685042 (E_RNA)
where:
Base-Base interactions energy: -29.175
where: short stacking energy: -29.175
Base-Backbone interact. energy: -0.154
local terms energy: -55.355228
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -94.827367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.827367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.827367 (E_RNA)
where:
Base-Base interactions energy: -33.280
where: short stacking energy: -25.093
Base-Backbone interact. energy: -0.766
local terms energy: -60.780773
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -225.962394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.962394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.962394 (E_RNA)
where:
Base-Base interactions energy: -146.057
where: short stacking energy: -79.277
Base-Backbone interact. energy: -0.003
local terms energy: -79.903073
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.758
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -222.725438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.725438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.725438 (E_RNA)
where:
Base-Base interactions energy: -140.854
where: short stacking energy: -77.477
Base-Backbone interact. energy: -0.181
local terms energy: -81.690417
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -224.041205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.041205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.041205 (E_RNA)
where:
Base-Base interactions energy: -142.141
where: short stacking energy: -78.621
Base-Backbone interact. energy: -0.011
local terms energy: -81.888702
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -21.942
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: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -199.291416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.291416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.291416 (E_RNA)
where:
Base-Base interactions energy: -123.389
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.071
local terms energy: -75.831848
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -175.338081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.338081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.338081 (E_RNA)
where:
Base-Base interactions energy: -114.957
where: short stacking energy: -60.938
Base-Backbone interact. energy: -0.031
local terms energy: -60.349519
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -186.038462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.038462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.038462 (E_RNA)
where:
Base-Base interactions energy: -117.410
where: short stacking energy: -54.795
Base-Backbone interact. energy: -0.054
local terms energy: -68.573976
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.530
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -173.994854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.994854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.994854 (E_RNA)
where:
Base-Base interactions energy: -107.350
where: short stacking energy: -58.194
Base-Backbone interact. energy: -0.110
local terms energy: -66.534905
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -89.026491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.026491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.026491 (E_RNA)
where:
Base-Base interactions energy: -28.976
where: short stacking energy: -28.976
Base-Backbone interact. energy: -0.188
local terms energy: -59.862556
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -89.249309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249309 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -30.640
Base-Backbone interact. energy: 1.065
local terms energy: -59.674121
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -84.235859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.235859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.235859 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -35.163
Base-Backbone interact. energy: -0.177
local terms energy: -48.896391
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -227.421829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.421829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.421829 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -71.470
Base-Backbone interact. energy: -0.102
local terms energy: -88.768332
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -226.130485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.130485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.130485 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.595
local terms energy: -78.245723
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -222.486025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.486025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.486025 (E_RNA)
where:
Base-Base interactions energy: -139.118
where: short stacking energy: -75.660
Base-Backbone interact. energy: -0.059
local terms energy: -83.309012
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -214.096997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.096997 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.044
local terms energy: -77.364382
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -12.325
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: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -183.981596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.981596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.981596 (E_RNA)
where:
Base-Base interactions energy: -111.680
where: short stacking energy: -52.903
Base-Backbone interact. energy: 0.359
local terms energy: -72.660909
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -177.598851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.598851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.598851 (E_RNA)
where:
Base-Base interactions energy: -109.667
where: short stacking energy: -65.190
Base-Backbone interact. energy: -0.885
local terms energy: -67.046864
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -180.507128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.507128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.507128 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.089
local terms energy: -69.314538
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -84.843110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.843110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.843110 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -20.813
Base-Backbone interact. energy: -0.052
local terms energy: -47.045301
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -2.332
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -82.232246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.232246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.232246 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -34.132
Base-Backbone interact. energy: 2.369
local terms energy: -50.469768
where:
bonds (distance) C4'-P energy: -4.152
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -79.179839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.179839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.179839 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -24.949
Base-Backbone interact. energy: -0.306
local terms energy: -53.925068
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -4.896
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: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -223.786861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.786861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.786861 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -73.631
Base-Backbone interact. energy: -0.001
local terms energy: -81.739101
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -23.335
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: 2, replica: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -218.663834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.663834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.663834 (E_RNA)
where:
Base-Base interactions energy: -140.357
where: short stacking energy: -76.844
Base-Backbone interact. energy: 1.569
local terms energy: -79.875720
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -207.986656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.986656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.986656 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -64.420
Base-Backbone interact. energy: 0.414
local terms energy: -75.680892
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -215.169760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.169760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.169760 (E_RNA)
where:
Base-Base interactions energy: -140.260
where: short stacking energy: -71.467
Base-Backbone interact. energy: -0.011
local terms energy: -74.897907
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -180.665453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.665453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.665453 (E_RNA)
where:
Base-Base interactions energy: -112.686
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.339
local terms energy: -67.640194
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -10.580
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: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -196.544455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.544455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.544455 (E_RNA)
where:
Base-Base interactions energy: -129.091
where: short stacking energy: -74.805
Base-Backbone interact. energy: -0.002
local terms energy: -67.451604
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -23.459
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: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -132.682827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.682827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.682827 (E_RNA)
where:
Base-Base interactions energy: -71.595
where: short stacking energy: -33.844
Base-Backbone interact. energy: 0.406
local terms energy: -61.493555
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -7.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -92.369686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.369686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.369686 (E_RNA)
where:
Base-Base interactions energy: -33.809
where: short stacking energy: -33.809
Base-Backbone interact. energy: -0.038
local terms energy: -58.522651
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -6.892
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: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -85.358594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.358594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.358594 (E_RNA)
where:
Base-Base interactions energy: -29.825
where: short stacking energy: -29.616
Base-Backbone interact. energy: -0.189
local terms energy: -55.344640
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -84.022172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.022172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.022172 (E_RNA)
where:
Base-Base interactions energy: -30.282
where: short stacking energy: -30.047
Base-Backbone interact. energy: -0.047
local terms energy: -53.693468
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -220.409139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.409139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.409139 (E_RNA)
where:
Base-Base interactions energy: -143.607
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.007
local terms energy: -76.795047
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -10.413
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: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -239.748911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.748911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.748911 (E_RNA)
where:
Base-Base interactions energy: -149.282
where: short stacking energy: -85.004
Base-Backbone interact. energy: -0.005
local terms energy: -90.461854
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -209.183480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.183480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.183480 (E_RNA)
where:
Base-Base interactions energy: -133.821
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.010
local terms energy: -75.352403
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -217.748988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748988 (E_RNA)
where:
Base-Base interactions energy: -136.466
where: short stacking energy: -78.829
Base-Backbone interact. energy: -0.011
local terms energy: -81.271928
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -174.622281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.622281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.622281 (E_RNA)
where:
Base-Base interactions energy: -106.111
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.029
local terms energy: -68.481935
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -149.457523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.457523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.457523 (E_RNA)
where:
Base-Base interactions energy: -85.347
where: short stacking energy: -39.999
Base-Backbone interact. energy: -0.100
local terms energy: -64.010963
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -9.550
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: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -179.968371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.968371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.968371 (E_RNA)
where:
Base-Base interactions energy: -115.352
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.047
local terms energy: -64.569315
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -87.792182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.792182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.792182 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -37.105
Base-Backbone interact. energy: -0.072
local terms energy: -50.614622
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -7.586
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: 235
Temperature: 1.300000
Total energy: -85.010995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.010995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.010995 (E_RNA)
where:
Base-Base interactions energy: -29.584
where: short stacking energy: -29.584
Base-Backbone interact. energy: -0.235
local terms energy: -55.192448
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -83.038359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038359 (E_RNA)
where:
Base-Base interactions energy: -44.562
where: short stacking energy: -32.059
Base-Backbone interact. energy: 1.052
local terms energy: -39.528077
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -2.755
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -227.394225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.394225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.394225 (E_RNA)
where:
Base-Base interactions energy: -142.308
where: short stacking energy: -80.407
Base-Backbone interact. energy: -0.055
local terms energy: -85.031845
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -216.779631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.779631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.779631 (E_RNA)
where:
Base-Base interactions energy: -135.626
where: short stacking energy: -72.727
Base-Backbone interact. energy: -0.015
local terms energy: -81.138704
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -218.532146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.532146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.532146 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.033
local terms energy: -77.196116
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -214.202824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.202824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.202824 (E_RNA)
where:
Base-Base interactions energy: -139.440
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.145
local terms energy: -74.618092
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -187.420061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.420061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.420061 (E_RNA)
where:
Base-Base interactions energy: -114.513
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.001
local terms energy: -72.905386
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -14.703
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: 6, replica: 2
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -166.622194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.622194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.622194 (E_RNA)
where:
Base-Base interactions energy: -103.591
where: short stacking energy: -53.792
Base-Backbone interact. energy: -0.212
local terms energy: -62.819730
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -10.277
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: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -180.114162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.114162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.114162 (E_RNA)
where:
Base-Base interactions energy: -106.037
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.056
local terms energy: -74.021303
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -93.444931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.444931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.444931 (E_RNA)
where:
Base-Base interactions energy: -33.850
where: short stacking energy: -32.973
Base-Backbone interact. energy: -0.032
local terms energy: -59.563078
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -2.260
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -81.873828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.873828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.873828 (E_RNA)
where:
Base-Base interactions energy: -26.076
where: short stacking energy: -20.301
Base-Backbone interact. energy: -0.291
local terms energy: -55.506888
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -1.401
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: 236
Temperature: 1.350000
Total energy: -88.379572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.379572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.379572 (E_RNA)
where:
Base-Base interactions energy: -36.426
where: short stacking energy: -30.261
Base-Backbone interact. energy: -0.065
local terms energy: -51.888396
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -10.480
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: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -222.842136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.842136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.842136 (E_RNA)
where:
Base-Base interactions energy: -141.186
where: short stacking energy: -79.733
Base-Backbone interact. energy: -0.005
local terms energy: -81.650472
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -14.278
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: 2, replica: 5
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -223.391312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.391312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391312 (E_RNA)
where:
Base-Base interactions energy: -138.673
where: short stacking energy: -77.115
Base-Backbone interact. energy: -0.171
local terms energy: -84.547167
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -21.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -212.118562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.118562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.118562 (E_RNA)
where:
Base-Base interactions energy: -136.684
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.264
local terms energy: -75.171291
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -8.869
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: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -187.998959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998959 (E_RNA)
where:
Base-Base interactions energy: -115.343
where: short stacking energy: -63.925
Base-Backbone interact. energy: -0.459
local terms energy: -72.196568
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -203.143793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.143793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.143793 (E_RNA)
where:
Base-Base interactions energy: -133.363
where: short stacking energy: -76.290
Base-Backbone interact. energy: -0.018
local terms energy: -69.762578
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.765
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: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -183.623754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.623754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.623754 (E_RNA)
where:
Base-Base interactions energy: -116.721
where: short stacking energy: -62.333
Base-Backbone interact. energy: 0.134
local terms energy: -67.036993
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -162.783755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.783755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.783755 (E_RNA)
where:
Base-Base interactions energy: -97.817
where: short stacking energy: -55.920
Base-Backbone interact. energy: 1.494
local terms energy: -66.460556
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.205
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: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -88.899816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.899816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.899816 (E_RNA)
where:
Base-Base interactions energy: -36.307
where: short stacking energy: -29.365
Base-Backbone interact. energy: -0.190
local terms energy: -52.402986
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -4.001
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: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -101.412335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.412335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.412335 (E_RNA)
where:
Base-Base interactions energy: -38.862
where: short stacking energy: -38.862
Base-Backbone interact. energy: -0.043
local terms energy: -62.507176
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -14.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -89.576068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.576068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.576068 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -32.936
Base-Backbone interact. energy: 0.248
local terms energy: -53.110173
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -228.599773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.599773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.599773 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -79.120
Base-Backbone interact. energy: -0.040
local terms energy: -82.873491
where:
bonds (distance) C4'-P energy: -16.654
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -222.601267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.601267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.601267 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.261
local terms energy: -80.464336
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -23.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -213.242527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.242527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242527 (E_RNA)
where:
Base-Base interactions energy: -138.317
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.012
local terms energy: -74.913109
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -204.813541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.813541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.813541 (E_RNA)
where:
Base-Base interactions energy: -133.886
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.004
local terms energy: -70.923318
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -206.242569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.242569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.242569 (E_RNA)
where:
Base-Base interactions energy: -128.003
where: short stacking energy: -64.871
Base-Backbone interact. energy: -0.006
local terms energy: -78.233045
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -185.819137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.819137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.819137 (E_RNA)
where:
Base-Base interactions energy: -113.613
where: short stacking energy: -58.209
Base-Backbone interact. energy: -0.001
local terms energy: -72.205450
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -176.448931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.448931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.448931 (E_RNA)
where:
Base-Base interactions energy: -104.229
where: short stacking energy: -53.408
Base-Backbone interact. energy: -0.344
local terms energy: -71.875355
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -91.305188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.305188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.305188 (E_RNA)
where:
Base-Base interactions energy: -39.261
where: short stacking energy: -32.413
Base-Backbone interact. energy: 0.923
local terms energy: -52.967235
where:
bonds (distance) C4'-P energy: -6.063
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -100.016180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.016180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.016180 (E_RNA)
where:
Base-Base interactions energy: -48.059
where: short stacking energy: -27.716
Base-Backbone interact. energy: -0.242
local terms energy: -51.714937
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -4.449
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: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -87.193273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.193273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.193273 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.232
local terms energy: -55.705569
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -6.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -234.696866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.696866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.696866 (E_RNA)
where:
Base-Base interactions energy: -141.183
where: short stacking energy: -83.103
Base-Backbone interact. energy: -0.181
local terms energy: -93.332512
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -24.876
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: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -227.337951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.337951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.337951 (E_RNA)
where:
Base-Base interactions energy: -150.933
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.050
local terms energy: -76.354695
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -21.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -216.449480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.449480 (E_RNA)
where:
Base-Base interactions energy: -132.110
where: short stacking energy: -73.975
Base-Backbone interact. energy: -0.004
local terms energy: -84.335193
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -22.729
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: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -211.133412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.133412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.133412 (E_RNA)
where:
Base-Base interactions energy: -132.244
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.000
local terms energy: -78.889295
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -205.202164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.202164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.202164 (E_RNA)
where:
Base-Base interactions energy: -128.784
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.122
local terms energy: -76.296479
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -21.692
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: 239
Temperature: 1.150000
Total energy: -178.460530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.460530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.460530 (E_RNA)
where:
Base-Base interactions energy: -116.483
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.069
local terms energy: -61.908095
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -175.958972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.958972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.958972 (E_RNA)
where:
Base-Base interactions energy: -113.354
where: short stacking energy: -62.860
Base-Backbone interact. energy: -0.430
local terms energy: -62.175393
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -101.572299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.572299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.572299 (E_RNA)
where:
Base-Base interactions energy: -40.577
where: short stacking energy: -40.577
Base-Backbone interact. energy: -0.284
local terms energy: -60.711631
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -6.624
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -82.063391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.063391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.063391 (E_RNA)
where:
Base-Base interactions energy: -23.887
where: short stacking energy: -23.887
Base-Backbone interact. energy: 1.519
local terms energy: -59.694857
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -75.463646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.463646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.463646 (E_RNA)
where:
Base-Base interactions energy: -32.474
where: short stacking energy: -18.732
Base-Backbone interact. energy: 2.523
local terms energy: -45.512695
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: 3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -231.301938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.301938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.301938 (E_RNA)
where:
Base-Base interactions energy: -144.948
where: short stacking energy: -80.615
Base-Backbone interact. energy: -0.062
local terms energy: -86.292204
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -24.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -223.935197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.935197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.935197 (E_RNA)
where:
Base-Base interactions energy: -137.165
where: short stacking energy: -71.692
Base-Backbone interact. energy: -0.635
local terms energy: -86.134477
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -10.954
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: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -206.874699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.874699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.874699 (E_RNA)
where:
Base-Base interactions energy: -134.010
where: short stacking energy: -72.851
Base-Backbone interact. energy: 0.112
local terms energy: -72.976553
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.447
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: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -214.912271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.912271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.912271 (E_RNA)
where:
Base-Base interactions energy: -136.608
where: short stacking energy: -74.709
Base-Backbone interact. energy: -0.012
local terms energy: -78.292766
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -8.985
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: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -200.196980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.196980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.196980 (E_RNA)
where:
Base-Base interactions energy: -137.261
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.417
local terms energy: -62.518825
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -19.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -172.724048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.724048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.724048 (E_RNA)
where:
Base-Base interactions energy: -112.823
where: short stacking energy: -50.717
Base-Backbone interact. energy: -0.224
local terms energy: -59.676144
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -13.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -195.231653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.231653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.231653 (E_RNA)
where:
Base-Base interactions energy: -120.423
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.834
local terms energy: -73.975070
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -92.279510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.279510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.279510 (E_RNA)
where:
Base-Base interactions energy: -37.682
where: short stacking energy: -25.848
Base-Backbone interact. energy: -0.360
local terms energy: -54.237255
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -91.556465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.556465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.556465 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -26.056
Base-Backbone interact. energy: 0.361
local terms energy: -63.754108
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.881
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -81.655570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.655570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.655570 (E_RNA)
where:
Base-Base interactions energy: -25.711
where: short stacking energy: -24.782
Base-Backbone interact. energy: -0.042
local terms energy: -55.902364
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -234.864759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.864759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.864759 (E_RNA)
where:
Base-Base interactions energy: -147.806
where: short stacking energy: -80.591
Base-Backbone interact. energy: -0.252
local terms energy: -86.806601
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -24.671
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: 241
Temperature: 0.950000
Total energy: -228.889017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.889017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.889017 (E_RNA)
where:
Base-Base interactions energy: -144.281
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.001
local terms energy: -84.607530
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -209.270003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.270003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.270003 (E_RNA)
where:
Base-Base interactions energy: -129.767
where: short stacking energy: -74.633
Base-Backbone interact. energy: -0.002
local terms energy: -79.501109
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -219.022844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.022844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.022844 (E_RNA)
where:
Base-Base interactions energy: -137.895
where: short stacking energy: -79.628
Base-Backbone interact. energy: -0.022
local terms energy: -81.106449
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -199.772746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.772746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.772746 (E_RNA)
where:
Base-Base interactions energy: -125.984
where: short stacking energy: -66.801
Base-Backbone interact. energy: -0.030
local terms energy: -73.758574
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -180.279686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.279686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.279686 (E_RNA)
where:
Base-Base interactions energy: -115.971
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.849
local terms energy: -63.459522
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -13.789
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: 241
Temperature: 1.200000
Total energy: -154.228181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.228181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.228181 (E_RNA)
where:
Base-Base interactions energy: -97.003
where: short stacking energy: -52.253
Base-Backbone interact. energy: -0.210
local terms energy: -57.016001
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -105.496313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.496313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.496313 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.056
local terms energy: -53.472013
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -10.780
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: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -96.583427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.583427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.583427 (E_RNA)
where:
Base-Base interactions energy: -41.884
where: short stacking energy: -37.187
Base-Backbone interact. energy: -0.190
local terms energy: -54.508910
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.151715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.151715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.151715 (E_RNA)
where:
Base-Base interactions energy: -33.259
where: short stacking energy: -24.803
Base-Backbone interact. energy: 0.068
local terms energy: -48.960475
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -8.963
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: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -225.788988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.788988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.788988 (E_RNA)
where:
Base-Base interactions energy: -148.842
where: short stacking energy: -71.960
Base-Backbone interact. energy: -0.108
local terms energy: -76.839294
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -224.377308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.377308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.377308 (E_RNA)
where:
Base-Base interactions energy: -143.733
where: short stacking energy: -82.875
Base-Backbone interact. energy: -0.017
local terms energy: -80.626847
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -216.271060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.271060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.271060 (E_RNA)
where:
Base-Base interactions energy: -141.358
where: short stacking energy: -70.515
Base-Backbone interact. energy: -0.575
local terms energy: -74.338108
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -19.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -200.914090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.914090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.914090 (E_RNA)
where:
Base-Base interactions energy: -134.651
where: short stacking energy: -69.484
Base-Backbone interact. energy: -0.694
local terms energy: -65.569055
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -18.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -207.207395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.207395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.207395 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.178
local terms energy: -76.177173
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -158.876792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.876792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.876792 (E_RNA)
where:
Base-Base interactions energy: -94.502
where: short stacking energy: -44.664
Base-Backbone interact. energy: -0.435
local terms energy: -63.940226
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -10.114
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: 242
Temperature: 1.200000
Total energy: -169.164220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.164220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.164220 (E_RNA)
where:
Base-Base interactions energy: -103.093
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.513
local terms energy: -65.558335
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -108.535774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.535774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.535774 (E_RNA)
where:
Base-Base interactions energy: -45.881
where: short stacking energy: -45.881
Base-Backbone interact. energy: -0.233
local terms energy: -62.422266
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -10.430
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: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -97.213217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.213217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.213217 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -37.669
Base-Backbone interact. energy: 1.060
local terms energy: -60.604171
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -94.793664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.793664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.793664 (E_RNA)
where:
Base-Base interactions energy: -41.330
where: short stacking energy: -34.252
Base-Backbone interact. energy: -0.208
local terms energy: -53.255979
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -228.766407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.766407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.766407 (E_RNA)
where:
Base-Base interactions energy: -146.032
where: short stacking energy: -81.007
Base-Backbone interact. energy: -0.003
local terms energy: -82.731578
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -213.116889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.116889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.116889 (E_RNA)
where:
Base-Base interactions energy: -136.335
where: short stacking energy: -65.361
Base-Backbone interact. energy: -0.266
local terms energy: -76.516532
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -11.369
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: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -201.964525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.964525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.964525 (E_RNA)
where:
Base-Base interactions energy: -125.707
where: short stacking energy: -66.463
Base-Backbone interact. energy: -0.039
local terms energy: -76.218770
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -19.431
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: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -204.258867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.258867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.258867 (E_RNA)
where:
Base-Base interactions energy: -126.156
where: short stacking energy: -65.375
Base-Backbone interact. energy: -0.200
local terms energy: -77.903142
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -202.774909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.774909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.774909 (E_RNA)
where:
Base-Base interactions energy: -129.582
where: short stacking energy: -65.903
Base-Backbone interact. energy: -0.024
local terms energy: -73.169258
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -189.624104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.624104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.624104 (E_RNA)
where:
Base-Base interactions energy: -119.694
where: short stacking energy: -61.581
Base-Backbone interact. energy: -0.105
local terms energy: -69.824815
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -5.797
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -154.080566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.080566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.080566 (E_RNA)
where:
Base-Base interactions energy: -90.044
where: short stacking energy: -47.736
Base-Backbone interact. energy: -0.117
local terms energy: -63.920117
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -96.914854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.914854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.914854 (E_RNA)
where:
Base-Base interactions energy: -41.622
where: short stacking energy: -40.241
Base-Backbone interact. energy: -0.267
local terms energy: -55.025169
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -87.148472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.148472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.148472 (E_RNA)
where:
Base-Base interactions energy: -40.646
where: short stacking energy: -17.424
Base-Backbone interact. energy: -0.123
local terms energy: -46.380090
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -7.553
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -91.477169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.477169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.477169 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -42.119
Base-Backbone interact. energy: 0.138
local terms energy: -49.496641
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -7.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -235.061306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.061306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.061306 (E_RNA)
where:
Base-Base interactions energy: -150.356
where: short stacking energy: -80.998
Base-Backbone interact. energy: -0.004
local terms energy: -84.702266
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -25.045
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: 5
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -217.322619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.322619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.322619 (E_RNA)
where:
Base-Base interactions energy: -133.885
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.046
local terms energy: -83.391916
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -208.200709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.200709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.200709 (E_RNA)
where:
Base-Base interactions energy: -128.816
where: short stacking energy: -69.540
Base-Backbone interact. energy: 1.357
local terms energy: -80.741375
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -22.056
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: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -186.110390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.110390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.110390 (E_RNA)
where:
Base-Base interactions energy: -114.286
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.000
local terms energy: -71.823765
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -207.852661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.852661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.852661 (E_RNA)
where:
Base-Base interactions energy: -137.412
where: short stacking energy: -73.789
Base-Backbone interact. energy: -0.003
local terms energy: -70.437719
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -189.215151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.215151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.215151 (E_RNA)
where:
Base-Base interactions energy: -120.107
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.320
local terms energy: -68.788019
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -172.557437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.557437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.557437 (E_RNA)
where:
Base-Base interactions energy: -97.581
where: short stacking energy: -61.459
Base-Backbone interact. energy: -0.090
local terms energy: -74.886823
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -98.499980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.499980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.499980 (E_RNA)
where:
Base-Base interactions energy: -54.861
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.214
local terms energy: -43.425191
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: 3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -92.391518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.391518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.391518 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -32.255
Base-Backbone interact. energy: -0.253
local terms energy: -59.092937
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -82.768886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.768886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.768886 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.017
local terms energy: -45.913721
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -8.033
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -223.462610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.462610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.462610 (E_RNA)
where:
Base-Base interactions energy: -139.511
where: short stacking energy: -77.042
Base-Backbone interact. energy: -0.020
local terms energy: -83.931632
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -15.327
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: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -212.605834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.605834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.605834 (E_RNA)
where:
Base-Base interactions energy: -132.790
where: short stacking energy: -66.902
Base-Backbone interact. energy: -0.086
local terms energy: -79.729975
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -17.932
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: 5
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -216.046131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.046131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.046131 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.047
local terms energy: -79.396043
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -197.606685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.606685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.606685 (E_RNA)
where:
Base-Base interactions energy: -114.707
where: short stacking energy: -65.081
Base-Backbone interact. energy: -0.001
local terms energy: -82.898642
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -16.584
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: 245
Temperature: 1.100000
Total energy: -217.368713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.368713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.368713 (E_RNA)
where:
Base-Base interactions energy: -137.823
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.098
local terms energy: -79.448465
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.948
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: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -178.160655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.160655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.160655 (E_RNA)
where:
Base-Base interactions energy: -107.620
where: short stacking energy: -55.850
Base-Backbone interact. energy: -0.010
local terms energy: -70.530426
where:
bonds (distance) C4'-P energy: -5.603
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -10.049
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: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -183.802913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.802913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.802913 (E_RNA)
where:
Base-Base interactions energy: -116.513
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.044
local terms energy: -67.246367
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -97.219272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219272 (E_RNA)
where:
Base-Base interactions energy: -44.403
where: short stacking energy: -39.848
Base-Backbone interact. energy: -0.027
local terms energy: -52.789302
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: -6.070
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: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -94.553049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.553049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.553049 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -27.651
Base-Backbone interact. energy: 3.883
local terms energy: -52.798391
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -72.412911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.412911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.412911 (E_RNA)
where:
Base-Base interactions energy: -21.535
where: short stacking energy: -15.929
Base-Backbone interact. energy: 1.878
local terms energy: -52.756368
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -0.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -226.705139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.705139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.705139 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -75.896
Base-Backbone interact. energy: -0.014
local terms energy: -86.300624
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -230.704628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.704628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.704628 (E_RNA)
where:
Base-Base interactions energy: -149.233
where: short stacking energy: -82.255
Base-Backbone interact. energy: -0.022
local terms energy: -81.449496
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -21.620
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: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -205.019826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.019826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.019826 (E_RNA)
where:
Base-Base interactions energy: -130.224
where: short stacking energy: -75.472
Base-Backbone interact. energy: -0.043
local terms energy: -74.752751
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -212.850173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.850173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.850173 (E_RNA)
where:
Base-Base interactions energy: -135.295
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.027
local terms energy: -77.527987
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -18.016
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: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -200.400957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.400957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.400957 (E_RNA)
where:
Base-Base interactions energy: -128.246
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.225
local terms energy: -71.930100
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -183.468273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.468273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.468273 (E_RNA)
where:
Base-Base interactions energy: -108.928
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.030
local terms energy: -74.509495
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -15.285
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: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -93.731130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.731130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.731130 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -37.319
Base-Backbone interact. energy: 0.831
local terms energy: -56.250411
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -172.699274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.699274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.699274 (E_RNA)
where:
Base-Base interactions energy: -110.085
where: short stacking energy: -58.651
Base-Backbone interact. energy: 2.245
local terms energy: -64.860150
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -102.922097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.922097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.922097 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -26.865
Base-Backbone interact. energy: -0.014
local terms energy: -63.662464
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -5.136
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: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -83.822332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.822332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.822332 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.622
local terms energy: -51.413639
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -7.470
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: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -224.697563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.697563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.697563 (E_RNA)
where:
Base-Base interactions energy: -140.819
where: short stacking energy: -78.614
Base-Backbone interact. energy: -0.024
local terms energy: -83.854045
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -22.362
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: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -223.496718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.496718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.496718 (E_RNA)
where:
Base-Base interactions energy: -140.090
where: short stacking energy: -76.477
Base-Backbone interact. energy: -0.012
local terms energy: -83.395224
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -24.220
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: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -222.361518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.361518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.361518 (E_RNA)
where:
Base-Base interactions energy: -143.627
where: short stacking energy: -77.579
Base-Backbone interact. energy: -0.014
local terms energy: -78.721195
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -23.388
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: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -228.046589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.046589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.046589 (E_RNA)
where:
Base-Base interactions energy: -146.285
where: short stacking energy: -87.113
Base-Backbone interact. energy: -0.051
local terms energy: -81.710605
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -187.923810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.923810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.923810 (E_RNA)
where:
Base-Base interactions energy: -108.260
where: short stacking energy: -61.569
Base-Backbone interact. energy: -0.716
local terms energy: -78.947284
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -18.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -190.028113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.028113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.028113 (E_RNA)
where:
Base-Base interactions energy: -113.499
where: short stacking energy: -57.639
Base-Backbone interact. energy: -0.021
local terms energy: -76.507677
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -18.284
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: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -94.146373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146373 (E_RNA)
where:
Base-Base interactions energy: -40.363
where: short stacking energy: -30.345
Base-Backbone interact. energy: 0.297
local terms energy: -54.080155
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -174.782696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.782696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.782696 (E_RNA)
where:
Base-Base interactions energy: -110.381
where: short stacking energy: -55.754
Base-Backbone interact. energy: -0.180
local terms energy: -64.222057
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -78.336816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.336816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.336816 (E_RNA)
where:
Base-Base interactions energy: -23.974
where: short stacking energy: -22.268
Base-Backbone interact. energy: -0.097
local terms energy: -54.266080
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -3.820
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: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -79.744177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.744177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.744177 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -23.790
Base-Backbone interact. energy: -0.053
local terms energy: -45.825539
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -9.683
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -3.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -225.730950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.730950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.730950 (E_RNA)
where:
Base-Base interactions energy: -137.915
where: short stacking energy: -74.310
Base-Backbone interact. energy: -0.083
local terms energy: -87.732487
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -217.464190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.464190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.464190 (E_RNA)
where:
Base-Base interactions energy: -133.762
where: short stacking energy: -76.200
Base-Backbone interact. energy: -0.126
local terms energy: -83.576709
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -22.010
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -220.547418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.547418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.547418 (E_RNA)
where:
Base-Base interactions energy: -135.265
where: short stacking energy: -73.042
Base-Backbone interact. energy: -0.007
local terms energy: -85.275601
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -23.181
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: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -203.670165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.670165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.670165 (E_RNA)
where:
Base-Base interactions energy: -134.469
where: short stacking energy: -68.475
Base-Backbone interact. energy: -0.009
local terms energy: -69.191454
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -16.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -191.729844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.729844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.729844 (E_RNA)
where:
Base-Base interactions energy: -120.094
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.077
local terms energy: -71.559158
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -184.557539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.557539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.557539 (E_RNA)
where:
Base-Base interactions energy: -112.060
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.189
local terms energy: -72.309245
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -121.028915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.028915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.028915 (E_RNA)
where:
Base-Base interactions energy: -65.179
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.442
local terms energy: -55.407075
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -88.111126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.111126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.111126 (E_RNA)
where:
Base-Base interactions energy: -53.446
where: short stacking energy: -22.225
Base-Backbone interact. energy: 0.797
local terms energy: -35.461994
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -2.152
tors. eta vs tors. theta energy: 5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -84.707835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.707835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.707835 (E_RNA)
where:
Base-Base interactions energy: -29.147
where: short stacking energy: -29.347
Base-Backbone interact. energy: -0.149
local terms energy: -55.411721
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -88.522599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.522599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.522599 (E_RNA)
where:
Base-Base interactions energy: -49.896
where: short stacking energy: -41.025
Base-Backbone interact. energy: -0.095
local terms energy: -38.531217
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: 3.488
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: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -222.506640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.506640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.506640 (E_RNA)
where:
Base-Base interactions energy: -147.557
where: short stacking energy: -80.216
Base-Backbone interact. energy: -0.222
local terms energy: -74.728180
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -21.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -230.527665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.527665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.527665 (E_RNA)
where:
Base-Base interactions energy: -149.192
where: short stacking energy: -79.554
Base-Backbone interact. energy: -0.086
local terms energy: -81.249548
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -213.639026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.639026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.639026 (E_RNA)
where:
Base-Base interactions energy: -130.549
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.196
local terms energy: -82.894021
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -210.114804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.114804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.114804 (E_RNA)
where:
Base-Base interactions energy: -137.220
where: short stacking energy: -75.148
Base-Backbone interact. energy: -0.001
local terms energy: -72.894438
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -24.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -184.869394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.869394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.869394 (E_RNA)
where:
Base-Base interactions energy: -117.904
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.025
local terms energy: -66.940103
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -15.484
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: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -183.202262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.202262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.202262 (E_RNA)
where:
Base-Base interactions energy: -118.266
where: short stacking energy: -55.494
Base-Backbone interact. energy: -0.302
local terms energy: -64.634816
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -96.003597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.003597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.003597 (E_RNA)
where:
Base-Base interactions energy: -35.518
where: short stacking energy: -30.988
Base-Backbone interact. energy: 0.336
local terms energy: -60.821216
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -89.799557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.799557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.799557 (E_RNA)
where:
Base-Base interactions energy: -38.249
where: short stacking energy: -21.191
Base-Backbone interact. energy: -0.325
local terms energy: -51.225698
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -95.450931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.450931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.450931 (E_RNA)
where:
Base-Base interactions energy: -36.198
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.494
local terms energy: -58.759402
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -4.933
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: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -93.737475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.737475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.737475 (E_RNA)
where:
Base-Base interactions energy: -51.945
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.051
local terms energy: -41.741461
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -7.075
flat angles P-C4'-P energy: -3.097
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: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -225.849134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.849134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.849134 (E_RNA)
where:
Base-Base interactions energy: -142.727
where: short stacking energy: -75.812
Base-Backbone interact. energy: 0.012
local terms energy: -83.134393
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -20.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -226.305480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.305480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.305480 (E_RNA)
where:
Base-Base interactions energy: -140.455
where: short stacking energy: -78.494
Base-Backbone interact. energy: -0.000
local terms energy: -85.850927
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -213.417531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.417531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.417531 (E_RNA)
where:
Base-Base interactions energy: -135.332
where: short stacking energy: -72.005
Base-Backbone interact. energy: -0.045
local terms energy: -78.040427
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -214.801995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.801995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801995 (E_RNA)
where:
Base-Base interactions energy: -140.417
where: short stacking energy: -73.492
Base-Backbone interact. energy: -0.002
local terms energy: -74.383776
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -195.501861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.501861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.501861 (E_RNA)
where:
Base-Base interactions energy: -121.481
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.023
local terms energy: -73.997734
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -5.192
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -166.484920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.484920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.484920 (E_RNA)
where:
Base-Base interactions energy: -100.529
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.067
local terms energy: -65.889474
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -8.730
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -101.031068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.031068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.031068 (E_RNA)
where:
Base-Base interactions energy: -43.069
where: short stacking energy: -43.069
Base-Backbone interact. energy: -0.122
local terms energy: -57.839459
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -89.548588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.548588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.548588 (E_RNA)
where:
Base-Base interactions energy: -37.725
where: short stacking energy: -37.725
Base-Backbone interact. energy: -0.017
local terms energy: -51.806992
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -97.923906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.923906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.923906 (E_RNA)
where:
Base-Base interactions energy: -51.439
where: short stacking energy: -34.723
Base-Backbone interact. energy: -0.102
local terms energy: -46.383302
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -6.562
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -86.498201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.498201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.498201 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -20.735
Base-Backbone interact. energy: -0.403
local terms energy: -50.599967
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -230.302994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.302994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.302994 (E_RNA)
where:
Base-Base interactions energy: -145.447
where: short stacking energy: -78.726
Base-Backbone interact. energy: -0.031
local terms energy: -84.825073
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -13.244
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: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -222.515561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.515561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.515561 (E_RNA)
where:
Base-Base interactions energy: -136.160
where: short stacking energy: -73.755
Base-Backbone interact. energy: -0.037
local terms energy: -86.318850
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -207.649279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.649279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.649279 (E_RNA)
where:
Base-Base interactions energy: -135.391
where: short stacking energy: -66.341
Base-Backbone interact. energy: 0.129
local terms energy: -72.387045
where:
bonds (distance) C4'-P energy: -8.429
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -183.103248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.103248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.103248 (E_RNA)
where:
Base-Base interactions energy: -110.814
where: short stacking energy: -49.924
Base-Backbone interact. energy: -0.139
local terms energy: -72.149722
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -12.350
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: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -206.417689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.417689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.417689 (E_RNA)
where:
Base-Base interactions energy: -121.466
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.001
local terms energy: -84.951056
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -9.102
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: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -187.152384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.152384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.152384 (E_RNA)
where:
Base-Base interactions energy: -128.038
where: short stacking energy: -63.110
Base-Backbone interact. energy: -0.217
local terms energy: -58.897558
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -7.633
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -10.336
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: 7, replica: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -101.615175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.615175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.615175 (E_RNA)
where:
Base-Base interactions energy: -40.545
where: short stacking energy: -37.199
Base-Backbone interact. energy: -0.065
local terms energy: -61.004585
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -7.359
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: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -84.460759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.460759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.460759 (E_RNA)
where:
Base-Base interactions energy: -30.781
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.020
local terms energy: -53.659647
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -84.570360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.570360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.570360 (E_RNA)
where:
Base-Base interactions energy: -37.262
where: short stacking energy: -33.508
Base-Backbone interact. energy: 0.345
local terms energy: -47.653045
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -87.781847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.781847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.781847 (E_RNA)
where:
Base-Base interactions energy: -25.653
where: short stacking energy: -25.653
Base-Backbone interact. energy: -0.014
local terms energy: -62.114778
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -1.695
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: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -235.613916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.613916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.613916 (E_RNA)
where:
Base-Base interactions energy: -150.427
where: short stacking energy: -86.902
Base-Backbone interact. energy: -0.004
local terms energy: -85.182061
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -24.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -216.025620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.025620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.025620 (E_RNA)
where:
Base-Base interactions energy: -141.764
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.045
local terms energy: -74.216472
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -11.907
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: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -206.009013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.009013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.009013 (E_RNA)
where:
Base-Base interactions energy: -132.658
where: short stacking energy: -72.365
Base-Backbone interact. energy: -0.073
local terms energy: -73.277690
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -197.737068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.737068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.737068 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.162
local terms energy: -70.575695
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -201.749787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.749787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.749787 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.059
local terms energy: -74.871921
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -10.021
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: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -172.305043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.305043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.305043 (E_RNA)
where:
Base-Base interactions energy: -105.924
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.447
local terms energy: -65.934292
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -134.947970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.947970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.947970 (E_RNA)
where:
Base-Base interactions energy: -82.743
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.279
local terms energy: -51.925965
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -3.692
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -88.660111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.660111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.660111 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -28.150
Base-Backbone interact. energy: -0.168
local terms energy: -56.493908
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -78.313034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.313034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.313034 (E_RNA)
where:
Base-Base interactions energy: -27.079
where: short stacking energy: -23.377
Base-Backbone interact. energy: -0.191
local terms energy: -51.042756
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -2.935
tors. eta vs tors. theta energy: -3.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -94.412447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.412447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.412447 (E_RNA)
where:
Base-Base interactions energy: -43.312
where: short stacking energy: -42.055
Base-Backbone interact. energy: -0.036
local terms energy: -51.064406
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -9.796
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -234.478334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.478334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.478334 (E_RNA)
where:
Base-Base interactions energy: -145.943
where: short stacking energy: -82.034
Base-Backbone interact. energy: -0.007
local terms energy: -88.528674
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -25.035
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: 2, replica: 9
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -216.099901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.099901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.099901 (E_RNA)
where:
Base-Base interactions energy: -140.553
where: short stacking energy: -75.932
Base-Backbone interact. energy: -0.004
local terms energy: -75.543231
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -210.151618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.151618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.151618 (E_RNA)
where:
Base-Base interactions energy: -128.963
where: short stacking energy: -65.141
Base-Backbone interact. energy: -0.000
local terms energy: -81.188637
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -9.436
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: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -217.880009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.880009 (E_RNA)
where:
Base-Base interactions energy: -141.322
where: short stacking energy: -77.432
Base-Backbone interact. energy: -0.001
local terms energy: -76.557413
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -9.660
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: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -183.118120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.118120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.118120 (E_RNA)
where:
Base-Base interactions energy: -113.375
where: short stacking energy: -55.433
Base-Backbone interact. energy: -0.275
local terms energy: -69.468236
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -15.731
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: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -163.756953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.756953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.756953 (E_RNA)
where:
Base-Base interactions energy: -96.318
where: short stacking energy: -46.472
Base-Backbone interact. energy: -0.638
local terms energy: -66.801054
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -12.739
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: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -159.187735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.187735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.187735 (E_RNA)
where:
Base-Base interactions energy: -96.112
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.234
local terms energy: -62.841185
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -108.816470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.816470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.816470 (E_RNA)
where:
Base-Base interactions energy: -41.580
where: short stacking energy: -41.580
Base-Backbone interact. energy: -0.275
local terms energy: -66.960616
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -12.162
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: 253
Temperature: 1.300000
Total energy: -94.085721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.085721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.085721 (E_RNA)
where:
Base-Base interactions energy: -45.652
where: short stacking energy: -45.477
Base-Backbone interact. energy: -0.049
local terms energy: -48.384437
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -2.874
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -84.252408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.252408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.252408 (E_RNA)
where:
Base-Base interactions energy: -23.177
where: short stacking energy: -22.018
Base-Backbone interact. energy: -0.014
local terms energy: -61.062077
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -227.158156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.158156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.158156 (E_RNA)
where:
Base-Base interactions energy: -144.856
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.020
local terms energy: -82.282662
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -224.307511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.307511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.307511 (E_RNA)
where:
Base-Base interactions energy: -140.245
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.252
local terms energy: -83.810208
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -14.912
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: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -218.992196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.992196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.992196 (E_RNA)
where:
Base-Base interactions energy: -138.853
where: short stacking energy: -76.343
Base-Backbone interact. energy: -0.250
local terms energy: -79.889673
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -209.877090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.877090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.877090 (E_RNA)
where:
Base-Base interactions energy: -137.498
where: short stacking energy: -69.951
Base-Backbone interact. energy: -0.570
local terms energy: -71.809785
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -195.850717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.850717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.850717 (E_RNA)
where:
Base-Base interactions energy: -120.195
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.660
local terms energy: -74.995851
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -21.935
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: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -194.358048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.358048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.358048 (E_RNA)
where:
Base-Base interactions energy: -118.320
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.585
local terms energy: -75.453351
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -105.000462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.000462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.000462 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -28.389
Base-Backbone interact. energy: -0.257
local terms energy: -61.632028
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -154.897317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.897317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.897317 (E_RNA)
where:
Base-Base interactions energy: -95.489
where: short stacking energy: -47.049
Base-Backbone interact. energy: -0.450
local terms energy: -58.958523
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -85.524331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.524331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.524331 (E_RNA)
where:
Base-Base interactions energy: -39.085
where: short stacking energy: -18.749
Base-Backbone interact. energy: -0.685
local terms energy: -45.754363
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: 1.362
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: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -75.260558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.260558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.260558 (E_RNA)
where:
Base-Base interactions energy: -21.270
where: short stacking energy: -16.691
Base-Backbone interact. energy: -0.077
local terms energy: -53.913860
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -224.820257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.820257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.820257 (E_RNA)
where:
Base-Base interactions energy: -141.061
where: short stacking energy: -77.126
Base-Backbone interact. energy: -0.004
local terms energy: -83.755599
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -20.436
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: 9
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -219.082938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.082938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.082938 (E_RNA)
where:
Base-Base interactions energy: -138.559
where: short stacking energy: -74.168
Base-Backbone interact. energy: -0.015
local terms energy: -80.509055
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -24.751
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: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -220.727545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.727545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.727545 (E_RNA)
where:
Base-Base interactions energy: -140.406
where: short stacking energy: -77.086
Base-Backbone interact. energy: -0.014
local terms energy: -80.307827
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -217.548607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.548607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.548607 (E_RNA)
where:
Base-Base interactions energy: -141.554
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.339
local terms energy: -75.654678
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -12.189
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: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -201.340985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.340985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.340985 (E_RNA)
where:
Base-Base interactions energy: -127.674
where: short stacking energy: -64.510
Base-Backbone interact. energy: -0.238
local terms energy: -73.428861
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -176.012815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.012815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.012815 (E_RNA)
where:
Base-Base interactions energy: -108.184
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.156
local terms energy: -67.672172
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -92.945796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.945796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.945796 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -31.441
Base-Backbone interact. energy: -0.144
local terms energy: -54.448633
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -177.364993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.364993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.364993 (E_RNA)
where:
Base-Base interactions energy: -119.390
where: short stacking energy: -60.865
Base-Backbone interact. energy: -0.157
local terms energy: -57.818046
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -6.957
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -84.788126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.788126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.788126 (E_RNA)
where:
Base-Base interactions energy: -30.972
where: short stacking energy: -30.972
Base-Backbone interact. energy: 1.594
local terms energy: -55.410186
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -78.356951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.356951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.356951 (E_RNA)
where:
Base-Base interactions energy: -31.343
where: short stacking energy: -23.713
Base-Backbone interact. energy: -0.326
local terms energy: -46.688292
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -6.315
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -222.988940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.988940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.988940 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -74.626
Base-Backbone interact. energy: -0.001
local terms energy: -84.723808
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -14.866
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: 3
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -224.156198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.156198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.156198 (E_RNA)
where:
Base-Base interactions energy: -140.142
where: short stacking energy: -76.413
Base-Backbone interact. energy: -0.047
local terms energy: -83.967131
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -13.865
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: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -211.993105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.993105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.993105 (E_RNA)
where:
Base-Base interactions energy: -129.951
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.005
local terms energy: -82.037367
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -12.471
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: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -218.348047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.348047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.348047 (E_RNA)
where:
Base-Base interactions energy: -133.434
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.002
local terms energy: -84.912455
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -193.978434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.978434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.978434 (E_RNA)
where:
Base-Base interactions energy: -116.711
where: short stacking energy: -53.369
Base-Backbone interact. energy: -0.043
local terms energy: -77.224257
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -171.312234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.312234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.312234 (E_RNA)
where:
Base-Base interactions energy: -104.387
where: short stacking energy: -57.810
Base-Backbone interact. energy: -0.068
local terms energy: -66.856899
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -11.116
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: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -179.252548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.252548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.252548 (E_RNA)
where:
Base-Base interactions energy: -107.052
where: short stacking energy: -61.119
Base-Backbone interact. energy: -0.875
local terms energy: -71.325048
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -92.956089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.956089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.956089 (E_RNA)
where:
Base-Base interactions energy: -39.945
where: short stacking energy: -35.674
Base-Backbone interact. energy: -0.179
local terms energy: -52.831863
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -80.283006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.283006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.283006 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.158
local terms energy: -45.181058
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -78.456529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.456529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.456529 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -23.226
Base-Backbone interact. energy: 0.563
local terms energy: -45.043941
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -3.758
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: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -225.624825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.624825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.624825 (E_RNA)
where:
Base-Base interactions energy: -139.919
where: short stacking energy: -78.810
Base-Backbone interact. energy: -0.008
local terms energy: -85.698572
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -15.790
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: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -215.230447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.230447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.230447 (E_RNA)
where:
Base-Base interactions energy: -134.096
where: short stacking energy: -71.221
Base-Backbone interact. energy: 0.084
local terms energy: -81.218238
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -12.497
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -223.601859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.601859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.601859 (E_RNA)
where:
Base-Base interactions energy: -143.444
where: short stacking energy: -79.276
Base-Backbone interact. energy: 0.172
local terms energy: -80.329617
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -193.236355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.236355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.236355 (E_RNA)
where:
Base-Base interactions energy: -119.240
where: short stacking energy: -57.687
Base-Backbone interact. energy: -0.873
local terms energy: -73.123414
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -200.228210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.228210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.228210 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.004
local terms energy: -75.189419
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -18.778
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: 1
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -191.707096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.707096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.707096 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.002
local terms energy: -72.601624
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -185.903734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.903734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.903734 (E_RNA)
where:
Base-Base interactions energy: -124.607
where: short stacking energy: -58.101
Base-Backbone interact. energy: -0.190
local terms energy: -61.107112
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -7.354
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: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -109.152373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.152373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.152373 (E_RNA)
where:
Base-Base interactions energy: -45.831
where: short stacking energy: -43.117
Base-Backbone interact. energy: -0.105
local terms energy: -63.216306
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -11.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -104.722006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.722006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.722006 (E_RNA)
where:
Base-Base interactions energy: -42.301
where: short stacking energy: -42.301
Base-Backbone interact. energy: -0.144
local terms energy: -62.277643
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -7.996
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: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -78.929414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.929414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.929414 (E_RNA)
where:
Base-Base interactions energy: -29.882
where: short stacking energy: -24.775
Base-Backbone interact. energy: -0.242
local terms energy: -48.804943
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -226.859638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.859638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.859638 (E_RNA)
where:
Base-Base interactions energy: -140.400
where: short stacking energy: -78.795
Base-Backbone interact. energy: 0.604
local terms energy: -87.063911
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -12.811
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: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -214.339670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.339670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.339670 (E_RNA)
where:
Base-Base interactions energy: -139.063
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.076
local terms energy: -75.200821
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -203.541202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.541202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.541202 (E_RNA)
where:
Base-Base interactions energy: -128.496
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.147
local terms energy: -74.898274
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -205.942563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.942563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.942563 (E_RNA)
where:
Base-Base interactions energy: -126.780
where: short stacking energy: -71.003
Base-Backbone interact. energy: -0.002
local terms energy: -79.159961
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -209.565510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.565510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.565510 (E_RNA)
where:
Base-Base interactions energy: -131.637
where: short stacking energy: -74.270
Base-Backbone interact. energy: -0.014
local terms energy: -77.914364
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -196.821063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.821063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.821063 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.104
local terms energy: -65.863529
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -7.935
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -187.243590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.243590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.243590 (E_RNA)
where:
Base-Base interactions energy: -115.809
where: short stacking energy: -52.981
Base-Backbone interact. energy: -0.069
local terms energy: -71.364983
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -100.261883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.261883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.261883 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -39.921
Base-Backbone interact. energy: -0.016
local terms energy: -60.430092
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -87.722727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.722727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.722727 (E_RNA)
where:
Base-Base interactions energy: -39.311
where: short stacking energy: -39.105
Base-Backbone interact. energy: -0.141
local terms energy: -48.271230
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -86.647996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.647996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.647996 (E_RNA)
where:
Base-Base interactions energy: -39.117
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.162
local terms energy: -47.368883
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -9.020
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: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -226.432094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.432094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.432094 (E_RNA)
where:
Base-Base interactions energy: -143.144
where: short stacking energy: -78.611
Base-Backbone interact. energy: -0.032
local terms energy: -83.255674
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -24.178
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: 259
Temperature: 0.950000
Total energy: -211.539645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.539645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.539645 (E_RNA)
where:
Base-Base interactions energy: -132.022
where: short stacking energy: -67.713
Base-Backbone interact. energy: -0.014
local terms energy: -79.503825
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -218.833671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.833671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.833671 (E_RNA)
where:
Base-Base interactions energy: -142.923
where: short stacking energy: -79.559
Base-Backbone interact. energy: -0.001
local terms energy: -75.909769
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -212.450439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.450439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.450439 (E_RNA)
where:
Base-Base interactions energy: -131.423
where: short stacking energy: -59.276
Base-Backbone interact. energy: -0.098
local terms energy: -80.929333
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -190.207646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.207646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.207646 (E_RNA)
where:
Base-Base interactions energy: -121.192
where: short stacking energy: -66.130
Base-Backbone interact. energy: -0.093
local terms energy: -68.922616
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -184.019527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.019527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.019527 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -55.838
Base-Backbone interact. energy: -0.589
local terms energy: -72.466621
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -18.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -200.417258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.417258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.417258 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -63.455
Base-Backbone interact. energy: -0.026
local terms energy: -68.204675
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -92.209510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.209510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.209510 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -32.764
Base-Backbone interact. energy: -0.236
local terms energy: -59.209439
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -81.924820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.924820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.924820 (E_RNA)
where:
Base-Base interactions energy: -34.315
where: short stacking energy: -34.315
Base-Backbone interact. energy: 0.275
local terms energy: -47.884922
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.873
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -84.126077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.126077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.126077 (E_RNA)
where:
Base-Base interactions energy: -33.004
where: short stacking energy: -33.004
Base-Backbone interact. energy: 0.403
local terms energy: -51.524801
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -229.748926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.748926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.748926 (E_RNA)
where:
Base-Base interactions energy: -141.224
where: short stacking energy: -82.131
Base-Backbone interact. energy: -0.005
local terms energy: -88.519988
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -24.789
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: 260
Temperature: 0.950000
Total energy: -211.005666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.005666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.005666 (E_RNA)
where:
Base-Base interactions energy: -134.417
where: short stacking energy: -70.617
Base-Backbone interact. energy: -0.281
local terms energy: -76.308066
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -12.397
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: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -218.446033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.446033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.446033 (E_RNA)
where:
Base-Base interactions energy: -142.968
where: short stacking energy: -76.921
Base-Backbone interact. energy: -0.050
local terms energy: -75.427965
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.993
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: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -213.126088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.126088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.126088 (E_RNA)
where:
Base-Base interactions energy: -135.163
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.001
local terms energy: -77.962606
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -11.678
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: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -198.642948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.642948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.642948 (E_RNA)
where:
Base-Base interactions energy: -127.038
where: short stacking energy: -70.276
Base-Backbone interact. energy: -0.051
local terms energy: -71.553365
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -167.632860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.632860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.632860 (E_RNA)
where:
Base-Base interactions energy: -105.676
where: short stacking energy: -54.360
Base-Backbone interact. energy: -0.029
local terms energy: -61.927856
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -103.796390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.796390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.796390 (E_RNA)
where:
Base-Base interactions energy: -44.757
where: short stacking energy: -44.757
Base-Backbone interact. energy: -0.177
local terms energy: -58.862102
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.673
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: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -167.244580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.244580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.244580 (E_RNA)
where:
Base-Base interactions energy: -105.636
where: short stacking energy: -51.486
Base-Backbone interact. energy: -0.261
local terms energy: -61.347823
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -95.747030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.747030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.747030 (E_RNA)
where:
Base-Base interactions energy: -36.959
where: short stacking energy: -36.959
Base-Backbone interact. energy: -0.015
local terms energy: -58.772948
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -8.130
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: 10, replica: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -82.921292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921292 (E_RNA)
where:
Base-Base interactions energy: -31.754
where: short stacking energy: -31.754
Base-Backbone interact. energy: -0.174
local terms energy: -50.993534
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -1.166
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: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -222.414804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.414804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.414804 (E_RNA)
where:
Base-Base interactions energy: -144.042
where: short stacking energy: -78.741
Base-Backbone interact. energy: -0.003
local terms energy: -78.370343
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -24.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -231.949688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.949688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.949688 (E_RNA)
where:
Base-Base interactions energy: -149.276
where: short stacking energy: -79.646
Base-Backbone interact. energy: -0.002
local terms energy: -82.671287
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -214.289203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.289203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.289203 (E_RNA)
where:
Base-Base interactions energy: -132.217
where: short stacking energy: -75.141
Base-Backbone interact. energy: 0.857
local terms energy: -82.929934
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -216.938144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.938144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.938144 (E_RNA)
where:
Base-Base interactions energy: -142.675
where: short stacking energy: -79.898
Base-Backbone interact. energy: -0.010
local terms energy: -74.253997
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -9.166
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -23.499
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: 261
Temperature: 1.100000
Total energy: -201.260880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.260880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.260880 (E_RNA)
where:
Base-Base interactions energy: -128.092
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.021
local terms energy: -73.148781
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -181.600492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.600492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.600492 (E_RNA)
where:
Base-Base interactions energy: -119.936
where: short stacking energy: -57.594
Base-Backbone interact. energy: 0.649
local terms energy: -62.314007
where:
bonds (distance) C4'-P energy: -6.128
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -98.236767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.236767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.236767 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -34.444
Base-Backbone interact. energy: -0.076
local terms energy: -63.716882
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -173.785772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.785772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.785772 (E_RNA)
where:
Base-Base interactions energy: -109.175
where: short stacking energy: -53.230
Base-Backbone interact. energy: -0.246
local terms energy: -64.364929
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -79.225804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.225804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.225804 (E_RNA)
where:
Base-Base interactions energy: -32.106
where: short stacking energy: -29.254
Base-Backbone interact. energy: -0.280
local terms energy: -46.839509
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -6.287
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: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -86.505660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505660 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -33.520
Base-Backbone interact. energy: -0.058
local terms energy: -51.912519
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -232.164185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.164185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.164185 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -78.267
Base-Backbone interact. energy: -0.005
local terms energy: -86.160450
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -222.916068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916068 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -84.745
Base-Backbone interact. energy: -0.122
local terms energy: -77.295449
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -218.194451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.194451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.194451 (E_RNA)
where:
Base-Base interactions energy: -144.363
where: short stacking energy: -76.976
Base-Backbone interact. energy: -0.002
local terms energy: -73.830096
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -205.903496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.903496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.903496 (E_RNA)
where:
Base-Base interactions energy: -128.438
where: short stacking energy: -61.515
Base-Backbone interact. energy: -0.147
local terms energy: -77.317890
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -12.137
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: 1
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -182.685730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.685730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.685730 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -64.014
Base-Backbone interact. energy: -0.129
local terms energy: -64.918189
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -188.075595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.075595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.075595 (E_RNA)
where:
Base-Base interactions energy: -109.447
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.131
local terms energy: -78.497009
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -185.526378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.526378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.526378 (E_RNA)
where:
Base-Base interactions energy: -116.302
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.140
local terms energy: -69.084352
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -93.577029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.577029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.577029 (E_RNA)
where:
Base-Base interactions energy: -42.034
where: short stacking energy: -30.822
Base-Backbone interact. energy: -0.331
local terms energy: -51.211729
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: 0.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -86.163100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.163100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.163100 (E_RNA)
where:
Base-Base interactions energy: -26.499
where: short stacking energy: -26.499
Base-Backbone interact. energy: -0.013
local terms energy: -59.651558
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -88.137461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.137461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.137461 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.043
local terms energy: -56.738084
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -228.116515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.116515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.116515 (E_RNA)
where:
Base-Base interactions energy: -144.164
where: short stacking energy: -78.420
Base-Backbone interact. energy: -0.007
local terms energy: -83.945427
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -23.829
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: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -220.991792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.991792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.991792 (E_RNA)
where:
Base-Base interactions energy: -139.955
where: short stacking energy: -75.717
Base-Backbone interact. energy: -0.002
local terms energy: -81.035440
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -8.397
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -215.341082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.341082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.341082 (E_RNA)
where:
Base-Base interactions energy: -139.640
where: short stacking energy: -74.059
Base-Backbone interact. energy: -0.011
local terms energy: -75.689793
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -8.440
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: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -207.231264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.231264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.231264 (E_RNA)
where:
Base-Base interactions energy: -131.727
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.030
local terms energy: -75.474604
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -12.601
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: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -187.807646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.807646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.807646 (E_RNA)
where:
Base-Base interactions energy: -110.146
where: short stacking energy: -53.296
Base-Backbone interact. energy: -0.001
local terms energy: -77.660578
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -196.074385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.074385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.074385 (E_RNA)
where:
Base-Base interactions energy: -120.084
where: short stacking energy: -58.085
Base-Backbone interact. energy: -0.413
local terms energy: -75.577014
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.315
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: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -179.482878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.482878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.482878 (E_RNA)
where:
Base-Base interactions energy: -116.851
where: short stacking energy: -59.528
Base-Backbone interact. energy: -0.036
local terms energy: -62.595911
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -13.506
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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -92.981029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.981029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.981029 (E_RNA)
where:
Base-Base interactions energy: -40.540
where: short stacking energy: -35.808
Base-Backbone interact. energy: -0.180
local terms energy: -52.260865
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -4.638
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: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -89.465452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.465452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.465452 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -35.128
Base-Backbone interact. energy: -0.040
local terms energy: -54.297445
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -78.669938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.669938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.669938 (E_RNA)
where:
Base-Base interactions energy: -33.876
where: short stacking energy: -21.947
Base-Backbone interact. energy: -0.128
local terms energy: -44.666228
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: 0.576
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: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -230.028004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.028004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.028004 (E_RNA)
where:
Base-Base interactions energy: -145.768
where: short stacking energy: -81.120
Base-Backbone interact. energy: -0.092
local terms energy: -84.168658
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -23.078
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: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -220.879748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.879748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.879748 (E_RNA)
where:
Base-Base interactions energy: -138.511
where: short stacking energy: -77.851
Base-Backbone interact. energy: -0.168
local terms energy: -82.201068
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -213.811774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.811774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.811774 (E_RNA)
where:
Base-Base interactions energy: -131.384
where: short stacking energy: -71.283
Base-Backbone interact. energy: -0.015
local terms energy: -82.412439
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -21.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -207.380440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.380440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.380440 (E_RNA)
where:
Base-Base interactions energy: -126.799
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.024
local terms energy: -80.557502
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -12.394
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: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -197.870220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.870220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.870220 (E_RNA)
where:
Base-Base interactions energy: -127.284
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.033
local terms energy: -70.553165
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -178.448363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.448363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.448363 (E_RNA)
where:
Base-Base interactions energy: -115.680
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.045
local terms energy: -62.723544
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -16.958
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: 264
Temperature: 1.200000
Total energy: -164.297086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.297086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.297086 (E_RNA)
where:
Base-Base interactions energy: -94.139
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.306
local terms energy: -69.851920
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -10.413
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: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -87.721029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721029 (E_RNA)
where:
Base-Base interactions energy: -36.927
where: short stacking energy: -36.927
Base-Backbone interact. energy: -0.135
local terms energy: -50.659061
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -7.840
flat angles P-C4'-P energy: -8.132
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: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -93.935918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.935918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.935918 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -36.338
Base-Backbone interact. energy: -2.381
local terms energy: -55.217643
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -2.033
tors. eta vs tors. theta energy: -5.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -76.560541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.560541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.560541 (E_RNA)
where:
Base-Base interactions energy: -32.287
where: short stacking energy: -31.646
Base-Backbone interact. energy: 1.584
local terms energy: -45.857698
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -237.526413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.526413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.526413 (E_RNA)
where:
Base-Base interactions energy: -154.020
where: short stacking energy: -86.290
Base-Backbone interact. energy: 0.481
local terms energy: -83.987990
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -24.139
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: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -224.041764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.041764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.041764 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -75.247
Base-Backbone interact. energy: -0.001
local terms energy: -81.355082
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -214.771843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.771843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.771843 (E_RNA)
where:
Base-Base interactions energy: -137.634
where: short stacking energy: -76.347
Base-Backbone interact. energy: -0.014
local terms energy: -77.123405
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.120
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: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -196.048022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.048022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.048022 (E_RNA)
where:
Base-Base interactions energy: -121.316
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.001
local terms energy: -74.731535
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -189.376418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.376418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.376418 (E_RNA)
where:
Base-Base interactions energy: -117.096
where: short stacking energy: -55.324
Base-Backbone interact. energy: -0.531
local terms energy: -71.748862
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -14.346
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: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -191.954327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.954327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.954327 (E_RNA)
where:
Base-Base interactions energy: -120.826
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.218
local terms energy: -70.910456
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -9.530
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: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -175.195170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.195170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.195170 (E_RNA)
where:
Base-Base interactions energy: -108.498
where: short stacking energy: -52.138
Base-Backbone interact. energy: -0.470
local terms energy: -66.226707
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -109.236540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.236540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.236540 (E_RNA)
where:
Base-Base interactions energy: -48.185
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.036
local terms energy: -61.016282
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -12.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -85.122810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.122810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.122810 (E_RNA)
where:
Base-Base interactions energy: -39.324
where: short stacking energy: -39.324
Base-Backbone interact. energy: 2.203
local terms energy: -48.001571
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -8.147
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -88.814950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814950 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -27.555
Base-Backbone interact. energy: -0.028
local terms energy: -46.872819
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -7.008
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -223.375109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.375109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375109 (E_RNA)
where:
Base-Base interactions energy: -142.938
where: short stacking energy: -74.034
Base-Backbone interact. energy: -0.016
local terms energy: -80.421689
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -230.437392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.437392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.437392 (E_RNA)
where:
Base-Base interactions energy: -144.421
where: short stacking energy: -80.161
Base-Backbone interact. energy: -0.002
local terms energy: -86.014471
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -22.114
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: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -198.981496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.981496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.981496 (E_RNA)
where:
Base-Base interactions energy: -124.460
where: short stacking energy: -63.167
Base-Backbone interact. energy: -0.621
local terms energy: -73.900966
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.777
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: 7
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -208.879636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.879636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.879636 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -70.025
Base-Backbone interact. energy: -0.089
local terms energy: -76.648893
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -197.694644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.694644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.694644 (E_RNA)
where:
Base-Base interactions energy: -124.545
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.001
local terms energy: -73.147953
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -5.570
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: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -177.056457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.056457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.056457 (E_RNA)
where:
Base-Base interactions energy: -111.488
where: short stacking energy: -53.002
Base-Backbone interact. energy: -0.719
local terms energy: -64.849091
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -7.238
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: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -171.154042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.154042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.154042 (E_RNA)
where:
Base-Base interactions energy: -108.484
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.180
local terms energy: -62.490152
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -97.847169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.847169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.847169 (E_RNA)
where:
Base-Base interactions energy: -44.887
where: short stacking energy: -42.355
Base-Backbone interact. energy: -0.117
local terms energy: -52.843304
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -8.759
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: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -89.686188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.686188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.686188 (E_RNA)
where:
Base-Base interactions energy: -27.490
where: short stacking energy: -27.490
Base-Backbone interact. energy: -0.304
local terms energy: -61.892042
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -82.266569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.266569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.266569 (E_RNA)
where:
Base-Base interactions energy: -33.170
where: short stacking energy: -33.170
Base-Backbone interact. energy: 0.051
local terms energy: -49.147529
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -11.847
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -220.205144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.205144 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -71.536
Base-Backbone interact. energy: -0.001
local terms energy: -80.712495
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -226.566085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.566085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.566085 (E_RNA)
where:
Base-Base interactions energy: -141.229
where: short stacking energy: -80.906
Base-Backbone interact. energy: -0.026
local terms energy: -85.310457
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -211.987974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.987974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.987974 (E_RNA)
where:
Base-Base interactions energy: -132.671
where: short stacking energy: -69.865
Base-Backbone interact. energy: -0.192
local terms energy: -79.125129
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -12.464
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: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -225.423127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.423127 (E_RNA)
where:
Base-Base interactions energy: -146.609
where: short stacking energy: -86.727
Base-Backbone interact. energy: -0.105
local terms energy: -78.709649
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -24.663
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: 267
Temperature: 1.100000
Total energy: -206.679830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.679830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.679830 (E_RNA)
where:
Base-Base interactions energy: -129.359
where: short stacking energy: -69.070
Base-Backbone interact. energy: -0.091
local terms energy: -77.229500
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -11.477
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: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -188.086765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.086765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.086765 (E_RNA)
where:
Base-Base interactions energy: -120.005
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.236
local terms energy: -67.845981
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -164.059524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.059524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.059524 (E_RNA)
where:
Base-Base interactions energy: -108.164
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.214
local terms energy: -55.681876
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -101.420505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.420505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.420505 (E_RNA)
where:
Base-Base interactions energy: -49.289
where: short stacking energy: -49.289
Base-Backbone interact. energy: -0.153
local terms energy: -51.979253
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -2.851
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -78.285780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.285780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.285780 (E_RNA)
where:
Base-Base interactions energy: -32.462
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.244
local terms energy: -45.580141
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -77.006727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.006727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.006727 (E_RNA)
where:
Base-Base interactions energy: -33.370
where: short stacking energy: -33.370
Base-Backbone interact. energy: -0.010
local terms energy: -43.627026
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -4.578
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: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -216.372052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.372052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.372052 (E_RNA)
where:
Base-Base interactions energy: -143.490
where: short stacking energy: -73.482
Base-Backbone interact. energy: -0.576
local terms energy: -72.305742
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -9.689
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: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -227.607500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.607500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.607500 (E_RNA)
where:
Base-Base interactions energy: -149.131
where: short stacking energy: -80.183
Base-Backbone interact. energy: -0.002
local terms energy: -78.473984
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -22.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -219.299124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.299124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.299124 (E_RNA)
where:
Base-Base interactions energy: -137.249
where: short stacking energy: -79.816
Base-Backbone interact. energy: -0.021
local terms energy: -82.028342
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -207.201962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.201962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.201962 (E_RNA)
where:
Base-Base interactions energy: -129.420
where: short stacking energy: -72.832
Base-Backbone interact. energy: -0.006
local terms energy: -77.775802
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -10.679
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: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -196.490039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.490039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.490039 (E_RNA)
where:
Base-Base interactions energy: -125.654
where: short stacking energy: -69.098
Base-Backbone interact. energy: -0.281
local terms energy: -70.555023
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -19.542
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: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -186.454996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.454996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.454996 (E_RNA)
where:
Base-Base interactions energy: -116.357
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.065
local terms energy: -70.032117
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -154.480178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.480178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.480178 (E_RNA)
where:
Base-Base interactions energy: -89.241
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.041
local terms energy: -65.198613
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -6.095
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: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -98.856382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.856382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.856382 (E_RNA)
where:
Base-Base interactions energy: -47.037
where: short stacking energy: -42.670
Base-Backbone interact. energy: 3.787
local terms energy: -55.605625
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -10.950
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: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -86.522117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522117 (E_RNA)
where:
Base-Base interactions energy: -35.173
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.390
local terms energy: -50.959647
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -93.570520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.570520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.570520 (E_RNA)
where:
Base-Base interactions energy: -38.828
where: short stacking energy: -38.828
Base-Backbone interact. energy: -0.040
local terms energy: -54.702553
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -237.001611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.001611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.001611 (E_RNA)
where:
Base-Base interactions energy: -153.962
where: short stacking energy: -85.658
Base-Backbone interact. energy: 0.588
local terms energy: -83.627723
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -23.140
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: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -218.112996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.112996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.112996 (E_RNA)
where:
Base-Base interactions energy: -134.074
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.361
local terms energy: -83.677916
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -217.755810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.755810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.755810 (E_RNA)
where:
Base-Base interactions energy: -139.796
where: short stacking energy: -74.116
Base-Backbone interact. energy: -0.105
local terms energy: -77.854205
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -201.523776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.523776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.523776 (E_RNA)
where:
Base-Base interactions energy: -128.862
where: short stacking energy: -68.095
Base-Backbone interact. energy: -0.007
local terms energy: -72.654199
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -171.321715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.321715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.321715 (E_RNA)
where:
Base-Base interactions energy: -104.122
where: short stacking energy: -55.391
Base-Backbone interact. energy: -0.628
local terms energy: -66.571740
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -193.990177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.990177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.990177 (E_RNA)
where:
Base-Base interactions energy: -123.815
where: short stacking energy: -68.345
Base-Backbone interact. energy: 0.215
local terms energy: -70.389411
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -11.859
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: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -161.395353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.395353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.395353 (E_RNA)
where:
Base-Base interactions energy: -98.315
where: short stacking energy: -51.667
Base-Backbone interact. energy: -0.342
local terms energy: -62.738133
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -11.625
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: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -80.787097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.787097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.787097 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -21.994
Base-Backbone interact. energy: -0.074
local terms energy: -48.049944
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -82.006997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.006997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.006997 (E_RNA)
where:
Base-Base interactions energy: -24.544
where: short stacking energy: -24.544
Base-Backbone interact. energy: -0.130
local terms energy: -57.333029
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -2.488
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: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -88.189653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.189653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.189653 (E_RNA)
where:
Base-Base interactions energy: -38.639
where: short stacking energy: -38.639
Base-Backbone interact. energy: -0.064
local terms energy: -49.486776
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -6.227
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -229.422050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.422050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.422050 (E_RNA)
where:
Base-Base interactions energy: -148.014
where: short stacking energy: -81.977
Base-Backbone interact. energy: -0.004
local terms energy: -81.403498
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -227.260895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.260895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.260895 (E_RNA)
where:
Base-Base interactions energy: -148.974
where: short stacking energy: -80.161
Base-Backbone interact. energy: -0.007
local terms energy: -78.279510
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.328
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: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -211.722653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.722653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.722653 (E_RNA)
where:
Base-Base interactions energy: -136.780
where: short stacking energy: -72.649
Base-Backbone interact. energy: -0.215
local terms energy: -74.727829
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -215.288755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.288755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.288755 (E_RNA)
where:
Base-Base interactions energy: -132.988
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.094
local terms energy: -82.207117
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -12.213
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: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -192.130872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.130872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.130872 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.188
local terms energy: -67.952456
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -8.409
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: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -192.412231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.412231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.412231 (E_RNA)
where:
Base-Base interactions energy: -125.718
where: short stacking energy: -63.940
Base-Backbone interact. energy: -0.014
local terms energy: -66.679974
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -165.122898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.122898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.122898 (E_RNA)
where:
Base-Base interactions energy: -97.284
where: short stacking energy: -60.249
Base-Backbone interact. energy: -0.026
local terms energy: -67.812068
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -101.394167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.394167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.394167 (E_RNA)
where:
Base-Base interactions energy: -46.762
where: short stacking energy: -35.882
Base-Backbone interact. energy: -0.289
local terms energy: -54.343303
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -99.249683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.249683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.249683 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -35.711
Base-Backbone interact. energy: -0.249
local terms energy: -63.285228
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -82.719051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.719051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.719051 (E_RNA)
where:
Base-Base interactions energy: -31.109
where: short stacking energy: -31.109
Base-Backbone interact. energy: -0.329
local terms energy: -51.280793
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -229.540582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.540582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.540582 (E_RNA)
where:
Base-Base interactions energy: -146.704
where: short stacking energy: -83.038
Base-Backbone interact. energy: -0.044
local terms energy: -82.792499
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -219.545001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.545001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.545001 (E_RNA)
where:
Base-Base interactions energy: -141.641
where: short stacking energy: -76.429
Base-Backbone interact. energy: -0.004
local terms energy: -77.900196
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -7.245
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: 271
Temperature: 1.000000
Total energy: -203.525928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.525928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.525928 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -73.985
Base-Backbone interact. energy: -0.212
local terms energy: -71.637368
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -200.557700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.557700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.557700 (E_RNA)
where:
Base-Base interactions energy: -130.235
where: short stacking energy: -73.786
Base-Backbone interact. energy: -0.019
local terms energy: -70.303984
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.306
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: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -219.721569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.721569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.721569 (E_RNA)
where:
Base-Base interactions energy: -142.486
where: short stacking energy: -78.710
Base-Backbone interact. energy: -0.012
local terms energy: -77.223637
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -10.823
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -200.485435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.485435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.485435 (E_RNA)
where:
Base-Base interactions energy: -128.958
where: short stacking energy: -68.999
Base-Backbone interact. energy: -0.168
local terms energy: -71.359454
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -140.211279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.211279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.211279 (E_RNA)
where:
Base-Base interactions energy: -87.624
where: short stacking energy: -41.815
Base-Backbone interact. energy: -0.144
local terms energy: -52.444095
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -8.215
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -8.757
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: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -89.851745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.851745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.851745 (E_RNA)
where:
Base-Base interactions energy: -36.927
where: short stacking energy: -36.927
Base-Backbone interact. energy: 1.373
local terms energy: -54.297990
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -8.198
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: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -95.995131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.995131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.995131 (E_RNA)
where:
Base-Base interactions energy: -38.673
where: short stacking energy: -22.142
Base-Backbone interact. energy: -0.193
local terms energy: -57.129786
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -7.615
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: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -90.718055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.718055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.718055 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -32.882
Base-Backbone interact. energy: -0.076
local terms energy: -57.759439
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -214.874449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.874449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.874449 (E_RNA)
where:
Base-Base interactions energy: -133.598
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.009
local terms energy: -81.266922
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -229.309737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.309737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.309737 (E_RNA)
where:
Base-Base interactions energy: -148.700
where: short stacking energy: -83.082
Base-Backbone interact. energy: -0.035
local terms energy: -80.574602
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -23.418
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: 272
Temperature: 1.000000
Total energy: -200.923722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.923722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.923722 (E_RNA)
where:
Base-Base interactions energy: -125.774
where: short stacking energy: -66.207
Base-Backbone interact. energy: -0.028
local terms energy: -75.121955
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -15.667
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -199.496047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.496047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.496047 (E_RNA)
where:
Base-Base interactions energy: -125.068
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.240
local terms energy: -74.187694
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -6.800
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: 5, replica: 7
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -207.001569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.001569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.001569 (E_RNA)
where:
Base-Base interactions energy: -137.994
where: short stacking energy: -71.732
Base-Backbone interact. energy: -0.099
local terms energy: -68.907923
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -195.434936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.434936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.434936 (E_RNA)
where:
Base-Base interactions energy: -123.730
where: short stacking energy: -61.325
Base-Backbone interact. energy: -0.052
local terms energy: -71.653032
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -129.606012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.606012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.606012 (E_RNA)
where:
Base-Base interactions energy: -68.266
where: short stacking energy: -38.215
Base-Backbone interact. energy: 1.324
local terms energy: -62.663855
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -85.889350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.889350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.889350 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -21.847
Base-Backbone interact. energy: 2.121
local terms energy: -49.160609
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -0.978
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: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -86.366071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.366071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.366071 (E_RNA)
where:
Base-Base interactions energy: -29.717
where: short stacking energy: -29.717
Base-Backbone interact. energy: -0.135
local terms energy: -56.514150
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -0.485
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: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -75.613683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.613683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.613683 (E_RNA)
where:
Base-Base interactions energy: -33.841
where: short stacking energy: -26.606
Base-Backbone interact. energy: -0.378
local terms energy: -41.394546
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: 3.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -226.256334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.256334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.256334 (E_RNA)
where:
Base-Base interactions energy: -146.939
where: short stacking energy: -74.199
Base-Backbone interact. energy: -0.004
local terms energy: -79.314094
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -215.841427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.841427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.841427 (E_RNA)
where:
Base-Base interactions energy: -141.019
where: short stacking energy: -76.311
Base-Backbone interact. energy: -0.005
local terms energy: -74.818098
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -20.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -212.519096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519096 (E_RNA)
where:
Base-Base interactions energy: -140.237
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.014
local terms energy: -72.267886
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -9.189
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -22.068
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: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -205.252927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.252927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.252927 (E_RNA)
where:
Base-Base interactions energy: -130.350
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.095
local terms energy: -74.808207
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -19.243
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -189.156328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.156328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.156328 (E_RNA)
where:
Base-Base interactions energy: -118.469
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.087
local terms energy: -70.599862
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -167.437280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.437280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.437280 (E_RNA)
where:
Base-Base interactions energy: -97.309
where: short stacking energy: -49.986
Base-Backbone interact. energy: -0.118
local terms energy: -70.010675
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -176.612894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.612894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.612894 (E_RNA)
where:
Base-Base interactions energy: -109.769
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.345
local terms energy: -66.498751
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -14.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -102.860495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.860495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.860495 (E_RNA)
where:
Base-Base interactions energy: -56.382
where: short stacking energy: -28.923
Base-Backbone interact. energy: -0.332
local terms energy: -46.146809
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -84.663664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.663664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.663664 (E_RNA)
where:
Base-Base interactions energy: -23.615
where: short stacking energy: -23.615
Base-Backbone interact. energy: -0.384
local terms energy: -60.664436
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -88.127634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.127634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.127634 (E_RNA)
where:
Base-Base interactions energy: -24.890
where: short stacking energy: -23.638
Base-Backbone interact. energy: -0.018
local terms energy: -63.219049
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.012
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: 1, replica: 3
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -225.406335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.406335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.406335 (E_RNA)
where:
Base-Base interactions energy: -139.931
where: short stacking energy: -71.207
Base-Backbone interact. energy: -0.019
local terms energy: -85.456273
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -219.259756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.259756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.259756 (E_RNA)
where:
Base-Base interactions energy: -136.220
where: short stacking energy: -74.375
Base-Backbone interact. energy: -0.648
local terms energy: -82.392357
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -10.906
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: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -220.895756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.895756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.895756 (E_RNA)
where:
Base-Base interactions energy: -135.318
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.002
local terms energy: -85.575713
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -204.609384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.609384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.609384 (E_RNA)
where:
Base-Base interactions energy: -128.827
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.000
local terms energy: -75.781545
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -8.032
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: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -185.633368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.633368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.633368 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -53.430
Base-Backbone interact. energy: -1.746
local terms energy: -65.289099
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -140.274746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.274746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.274746 (E_RNA)
where:
Base-Base interactions energy: -77.076
where: short stacking energy: -51.866
Base-Backbone interact. energy: -1.059
local terms energy: -62.139898
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -11.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -165.759040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.759040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.759040 (E_RNA)
where:
Base-Base interactions energy: -97.769
where: short stacking energy: -47.402
Base-Backbone interact. energy: -0.379
local terms energy: -67.610989
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -90.868400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868400 (E_RNA)
where:
Base-Base interactions energy: -34.808
where: short stacking energy: -30.874
Base-Backbone interact. energy: 0.074
local terms energy: -56.134525
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -6.486
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: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -75.503313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.503313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.503313 (E_RNA)
where:
Base-Base interactions energy: -25.717
where: short stacking energy: -25.717
Base-Backbone interact. energy: -0.290
local terms energy: -49.496614
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -5.710
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: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -75.340288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.340288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.340288 (E_RNA)
where:
Base-Base interactions energy: -28.690
where: short stacking energy: -27.442
Base-Backbone interact. energy: -0.103
local terms energy: -46.547163
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -219.587958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.587958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.587958 (E_RNA)
where:
Base-Base interactions energy: -138.514
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.008
local terms energy: -81.065981
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.467
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: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -227.698348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.698348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.698348 (E_RNA)
where:
Base-Base interactions energy: -142.392
where: short stacking energy: -69.320
Base-Backbone interact. energy: -0.005
local terms energy: -85.301206
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -208.761697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.761697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.761697 (E_RNA)
where:
Base-Base interactions energy: -127.411
where: short stacking energy: -65.151
Base-Backbone interact. energy: -0.324
local terms energy: -81.026142
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -189.172977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.172977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.172977 (E_RNA)
where:
Base-Base interactions energy: -112.999
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.637
local terms energy: -75.536923
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -201.538143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.538143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.538143 (E_RNA)
where:
Base-Base interactions energy: -128.491
where: short stacking energy: -66.227
Base-Backbone interact. energy: -0.099
local terms energy: -72.948685
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -22.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -199.289584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.289584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.289584 (E_RNA)
where:
Base-Base interactions energy: -122.505
where: short stacking energy: -64.244
Base-Backbone interact. energy: 0.732
local terms energy: -77.516804
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -101.814073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.814073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.814073 (E_RNA)
where:
Base-Base interactions energy: -40.336
where: short stacking energy: -40.336
Base-Backbone interact. energy: -0.003
local terms energy: -61.475250
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -7.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -103.463902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.463902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.463902 (E_RNA)
where:
Base-Base interactions energy: -45.596
where: short stacking energy: -42.529
Base-Backbone interact. energy: -0.215
local terms energy: -57.653170
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -8.119
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: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -94.042837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.042837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.042837 (E_RNA)
where:
Base-Base interactions energy: -43.291
where: short stacking energy: -41.843
Base-Backbone interact. energy: -0.130
local terms energy: -50.621418
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -75.204462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.204462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.204462 (E_RNA)
where:
Base-Base interactions energy: -20.208
where: short stacking energy: -17.353
Base-Backbone interact. energy: -0.205
local terms energy: -54.791863
where:
bonds (distance) C4'-P energy: -6.658
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -226.901227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.901227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.901227 (E_RNA)
where:
Base-Base interactions energy: -138.270
where: short stacking energy: -77.566
Base-Backbone interact. energy: 0.213
local terms energy: -88.844767
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -220.462765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.462765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.462765 (E_RNA)
where:
Base-Base interactions energy: -134.459
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.012
local terms energy: -85.991751
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -216.825900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.825900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.825900 (E_RNA)
where:
Base-Base interactions energy: -136.827
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.588
local terms energy: -79.411202
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -18.843
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: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -205.361789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.361789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.361789 (E_RNA)
where:
Base-Base interactions energy: -128.019
where: short stacking energy: -66.548
Base-Backbone interact. energy: -0.096
local terms energy: -77.246135
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -12.174
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: 276
Temperature: 1.100000
Total energy: -198.479065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.479065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.479065 (E_RNA)
where:
Base-Base interactions energy: -114.230
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.033
local terms energy: -84.215819
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -14.982
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: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -189.579917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.579917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.579917 (E_RNA)
where:
Base-Base interactions energy: -120.621
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.043
local terms energy: -68.915633
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -7.869
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: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -98.867837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867837 (E_RNA)
where:
Base-Base interactions energy: -46.856
where: short stacking energy: -42.989
Base-Backbone interact. energy: -0.098
local terms energy: -51.913874
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -84.327965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.327965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.327965 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -31.843
Base-Backbone interact. energy: -0.039
local terms energy: -52.545604
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -6.091
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -83.781855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.781855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.781855 (E_RNA)
where:
Base-Base interactions energy: -36.880
where: short stacking energy: -26.923
Base-Backbone interact. energy: -0.468
local terms energy: -46.433724
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: 2.939
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: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -80.700148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.700148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.700148 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -29.438
Base-Backbone interact. energy: -0.092
local terms energy: -51.170048
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -225.952551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.952551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.952551 (E_RNA)
where:
Base-Base interactions energy: -146.081
where: short stacking energy: -84.000
Base-Backbone interact. energy: 0.217
local terms energy: -80.088849
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -215.542253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.542253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.542253 (E_RNA)
where:
Base-Base interactions energy: -142.369
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.006
local terms energy: -73.167258
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -22.713
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: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -221.963230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.963230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.963230 (E_RNA)
where:
Base-Base interactions energy: -144.852
where: short stacking energy: -85.692
Base-Backbone interact. energy: -0.062
local terms energy: -77.049099
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -10.479
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: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -209.883259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.883259 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -71.099
Base-Backbone interact. energy: -0.007
local terms energy: -71.615025
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -19.884
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: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -205.154226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.154226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.154226 (E_RNA)
where:
Base-Base interactions energy: -131.127
where: short stacking energy: -69.782
Base-Backbone interact. energy: -0.069
local terms energy: -73.958410
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -199.697135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.697135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.697135 (E_RNA)
where:
Base-Base interactions energy: -130.876
where: short stacking energy: -63.792
Base-Backbone interact. energy: -0.029
local terms energy: -68.792373
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -110.441397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.441397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.441397 (E_RNA)
where:
Base-Base interactions energy: -48.968
where: short stacking energy: -45.845
Base-Backbone interact. energy: -0.226
local terms energy: -61.247432
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -88.727315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.727315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.727315 (E_RNA)
where:
Base-Base interactions energy: -39.135
where: short stacking energy: -39.735
Base-Backbone interact. energy: -0.045
local terms energy: -49.546996
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -1.507
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -86.951719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.951719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.951719 (E_RNA)
where:
Base-Base interactions energy: -33.113
where: short stacking energy: -33.871
Base-Backbone interact. energy: 0.443
local terms energy: -54.281972
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -75.374834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.374834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.374834 (E_RNA)
where:
Base-Base interactions energy: -27.009
where: short stacking energy: -27.009
Base-Backbone interact. energy: -0.067
local terms energy: -48.298672
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: 0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -225.661234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.661234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.661234 (E_RNA)
where:
Base-Base interactions energy: -144.120
where: short stacking energy: -78.199
Base-Backbone interact. energy: -0.029
local terms energy: -81.512354
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -13.008
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: 2, replica: 10
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -212.514225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.514225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.514225 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.108
local terms energy: -76.791763
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -10.078
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: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -201.871134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.871134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.871134 (E_RNA)
where:
Base-Base interactions energy: -127.639
where: short stacking energy: -68.123
Base-Backbone interact. energy: 0.892
local terms energy: -75.124610
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -212.607800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.607800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.607800 (E_RNA)
where:
Base-Base interactions energy: -137.393
where: short stacking energy: -81.602
Base-Backbone interact. energy: 0.136
local terms energy: -75.350854
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -21.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -205.246044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.246044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.246044 (E_RNA)
where:
Base-Base interactions energy: -133.354
where: short stacking energy: -69.447
Base-Backbone interact. energy: -0.003
local terms energy: -71.889132
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -17.840
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: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -200.099667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.099667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.099667 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -67.823
Base-Backbone interact. energy: -0.001
local terms energy: -80.983120
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -19.096
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -10.307
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: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -97.358970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.358970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.358970 (E_RNA)
where:
Base-Base interactions energy: -37.556
where: short stacking energy: -37.556
Base-Backbone interact. energy: -0.078
local terms energy: -59.725676
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -89.514919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.514919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.514919 (E_RNA)
where:
Base-Base interactions energy: -36.565
where: short stacking energy: -36.535
Base-Backbone interact. energy: -0.069
local terms energy: -52.881592
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -5.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -85.021082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.021082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.021082 (E_RNA)
where:
Base-Base interactions energy: -26.303
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.031
local terms energy: -58.687970
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -80.018335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018335 (E_RNA)
where:
Base-Base interactions energy: -31.591
where: short stacking energy: -31.591
Base-Backbone interact. energy: -0.293
local terms energy: -48.133883
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -231.168657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.168657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.168657 (E_RNA)
where:
Base-Base interactions energy: -142.202
where: short stacking energy: -75.731
Base-Backbone interact. energy: -0.013
local terms energy: -88.953721
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -22.209
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: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -225.796441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.796441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.796441 (E_RNA)
where:
Base-Base interactions energy: -143.014
where: short stacking energy: -76.007
Base-Backbone interact. energy: -0.007
local terms energy: -82.775085
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -217.546344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.546344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.546344 (E_RNA)
where:
Base-Base interactions energy: -138.308
where: short stacking energy: -70.509
Base-Backbone interact. energy: 0.276
local terms energy: -79.514976
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -207.097845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.097845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.097845 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -75.310
Base-Backbone interact. energy: -0.034
local terms energy: -73.409088
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -8.100
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: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -210.125375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.125375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.125375 (E_RNA)
where:
Base-Base interactions energy: -134.123
where: short stacking energy: -72.429
Base-Backbone interact. energy: -0.005
local terms energy: -75.998011
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -200.052022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.052022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.052022 (E_RNA)
where:
Base-Base interactions energy: -133.276
where: short stacking energy: -66.762
Base-Backbone interact. energy: 0.547
local terms energy: -67.322885
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -101.327481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.327481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.327481 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.110
local terms energy: -64.097059
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -99.022422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.022422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.022422 (E_RNA)
where:
Base-Base interactions energy: -39.786
where: short stacking energy: -39.786
Base-Backbone interact. energy: -0.006
local terms energy: -59.230410
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.827
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: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -84.796465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.796465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.796465 (E_RNA)
where:
Base-Base interactions energy: -37.542
where: short stacking energy: -37.117
Base-Backbone interact. energy: -0.213
local terms energy: -47.041066
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: 1.264
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -91.500288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.500288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.500288 (E_RNA)
where:
Base-Base interactions energy: -41.880
where: short stacking energy: -39.290
Base-Backbone interact. energy: -0.026
local terms energy: -49.595091
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -232.099875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.099875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.099875 (E_RNA)
where:
Base-Base interactions energy: -151.901
where: short stacking energy: -83.811
Base-Backbone interact. energy: -0.002
local terms energy: -80.197734
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -220.457797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.457797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.457797 (E_RNA)
where:
Base-Base interactions energy: -138.100
where: short stacking energy: -78.606
Base-Backbone interact. energy: -0.243
local terms energy: -82.114632
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -23.616
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -201.369796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.369796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.369796 (E_RNA)
where:
Base-Base interactions energy: -132.055
where: short stacking energy: -63.928
Base-Backbone interact. energy: -0.210
local terms energy: -69.105138
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -214.414129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.414129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.414129 (E_RNA)
where:
Base-Base interactions energy: -133.966
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.036
local terms energy: -80.411968
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -25.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -202.345046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.345046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.345046 (E_RNA)
where:
Base-Base interactions energy: -123.255
where: short stacking energy: -70.795
Base-Backbone interact. energy: -0.009
local terms energy: -79.081153
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -11.670
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: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -185.434283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.434283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.434283 (E_RNA)
where:
Base-Base interactions energy: -113.933
where: short stacking energy: -52.815
Base-Backbone interact. energy: -0.039
local terms energy: -71.462708
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -113.505325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.505325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.505325 (E_RNA)
where:
Base-Base interactions energy: -56.234
where: short stacking energy: -38.344
Base-Backbone interact. energy: -0.102
local terms energy: -57.169450
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -94.554883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.554883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.554883 (E_RNA)
where:
Base-Base interactions energy: -38.191
where: short stacking energy: -36.558
Base-Backbone interact. energy: -0.234
local terms energy: -56.130034
where:
bonds (distance) C4'-P energy: -7.681
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -85.849593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.849593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.849593 (E_RNA)
where:
Base-Base interactions energy: -29.798
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.484
local terms energy: -55.566993
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -80.620449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.620449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.620449 (E_RNA)
where:
Base-Base interactions energy: -37.812
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.132
local terms energy: -42.677015
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -228.955403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.955403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.955403 (E_RNA)
where:
Base-Base interactions energy: -143.686
where: short stacking energy: -81.123
Base-Backbone interact. energy: -0.070
local terms energy: -85.199899
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -20.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -212.639391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.639391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.639391 (E_RNA)
where:
Base-Base interactions energy: -133.955
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.015
local terms energy: -78.668984
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -208.913158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913158 (E_RNA)
where:
Base-Base interactions energy: -134.010
where: short stacking energy: -71.987
Base-Backbone interact. energy: -0.289
local terms energy: -74.613710
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -216.934687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.934687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.934687 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -72.537
Base-Backbone interact. energy: -0.081
local terms energy: -76.685324
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -20.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -193.648520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.648520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.648520 (E_RNA)
where:
Base-Base interactions energy: -127.752
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.148
local terms energy: -65.747734
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -17.110
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: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -169.072803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.072803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.072803 (E_RNA)
where:
Base-Base interactions energy: -104.891
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.021
local terms energy: -64.160516
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -11.528
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: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -96.092602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.092602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.092602 (E_RNA)
where:
Base-Base interactions energy: -42.870
where: short stacking energy: -39.130
Base-Backbone interact. energy: -0.363
local terms energy: -52.859445
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -8.336
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -91.150807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.150807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.150807 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -37.750
Base-Backbone interact. energy: 0.895
local terms energy: -54.295243
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -87.941062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.941062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.941062 (E_RNA)
where:
Base-Base interactions energy: -28.009
where: short stacking energy: -28.009
Base-Backbone interact. energy: 0.402
local terms energy: -60.334506
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -5.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -87.022120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.022120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.022120 (E_RNA)
where:
Base-Base interactions energy: -39.053
where: short stacking energy: -39.053
Base-Backbone interact. energy: -0.015
local terms energy: -47.954224
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -233.555441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.555441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.555441 (E_RNA)
where:
Base-Base interactions energy: -149.412
where: short stacking energy: -78.818
Base-Backbone interact. energy: -0.092
local terms energy: -84.051844
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -14.365
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -219.024804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.024804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.024804 (E_RNA)
where:
Base-Base interactions energy: -141.756
where: short stacking energy: -70.011
Base-Backbone interact. energy: -0.406
local terms energy: -76.863082
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -21.438
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: 282
Temperature: 1.000000
Total energy: -223.579056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.579056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.579056 (E_RNA)
where:
Base-Base interactions energy: -141.539
where: short stacking energy: -81.847
Base-Backbone interact. energy: -0.013
local terms energy: -82.027515
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -10.072
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: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -214.128856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.128856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.128856 (E_RNA)
where:
Base-Base interactions energy: -137.179
where: short stacking energy: -70.074
Base-Backbone interact. energy: 1.476
local terms energy: -78.425400
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -12.504
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: 5, replica: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -184.768698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.768698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.768698 (E_RNA)
where:
Base-Base interactions energy: -115.069
where: short stacking energy: -67.364
Base-Backbone interact. energy: -0.177
local terms energy: -69.522989
where:
bonds (distance) C4'-P energy: -9.089
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -189.084933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.084933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.084933 (E_RNA)
where:
Base-Base interactions energy: -126.097
where: short stacking energy: -62.913
Base-Backbone interact. energy: -0.097
local terms energy: -62.890907
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -107.376190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.376190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.376190 (E_RNA)
where:
Base-Base interactions energy: -46.024
where: short stacking energy: -41.898
Base-Backbone interact. energy: -0.044
local terms energy: -61.308462
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -104.607302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.607302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.607302 (E_RNA)
where:
Base-Base interactions energy: -39.094
where: short stacking energy: -39.094
Base-Backbone interact. energy: -0.208
local terms energy: -65.305111
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -8.340
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: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -83.129763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.129763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.129763 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -35.452
Base-Backbone interact. energy: -0.080
local terms energy: -45.528216
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -9.382
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: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -73.689891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.689891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.689891 (E_RNA)
where:
Base-Base interactions energy: -22.179
where: short stacking energy: -17.634
Base-Backbone interact. energy: 0.663
local terms energy: -52.174050
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -237.006959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.006959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.006959 (E_RNA)
where:
Base-Base interactions energy: -149.063
where: short stacking energy: -80.814
Base-Backbone interact. energy: -0.022
local terms energy: -87.921993
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -13.583
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -221.009466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.009466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.009466 (E_RNA)
where:
Base-Base interactions energy: -140.181
where: short stacking energy: -65.985
Base-Backbone interact. energy: -0.097
local terms energy: -80.731290
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -13.382
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: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -214.032886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.032886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.032886 (E_RNA)
where:
Base-Base interactions energy: -137.010
where: short stacking energy: -79.016
Base-Backbone interact. energy: -0.001
local terms energy: -77.021549
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.394
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: 4, replica: 9
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -212.184190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.184190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.184190 (E_RNA)
where:
Base-Base interactions energy: -133.145
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.062
local terms energy: -78.977289
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -190.255251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.255251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.255251 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -67.842
Base-Backbone interact. energy: -0.184
local terms energy: -65.684783
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -186.768748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.768748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.768748 (E_RNA)
where:
Base-Base interactions energy: -118.197
where: short stacking energy: -62.729
Base-Backbone interact. energy: 0.193
local terms energy: -68.764634
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -105.819687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.819687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.819687 (E_RNA)
where:
Base-Base interactions energy: -56.912
where: short stacking energy: -33.058
Base-Backbone interact. energy: -0.251
local terms energy: -48.657328
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -6.640
flat angles P-C4'-P energy: -10.770
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: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -89.614495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.614495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.614495 (E_RNA)
where:
Base-Base interactions energy: -42.200
where: short stacking energy: -42.200
Base-Backbone interact. energy: -0.167
local terms energy: -47.247816
where:
bonds (distance) C4'-P energy: -9.110
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -2.244
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -91.437875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.437875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.437875 (E_RNA)
where:
Base-Base interactions energy: -34.675
where: short stacking energy: -34.675
Base-Backbone interact. energy: -0.260
local terms energy: -56.503463
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -71.905328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.905328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.905328 (E_RNA)
where:
Base-Base interactions energy: -32.095
where: short stacking energy: -18.767
Base-Backbone interact. energy: 0.526
local terms energy: -40.336421
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: 3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -221.605868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.605868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.605868 (E_RNA)
where:
Base-Base interactions energy: -139.942
where: short stacking energy: -78.188
Base-Backbone interact. energy: 1.195
local terms energy: -82.858834
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -217.786072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.786072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.786072 (E_RNA)
where:
Base-Base interactions energy: -140.247
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.004
local terms energy: -77.534865
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -209.366683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.366683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.366683 (E_RNA)
where:
Base-Base interactions energy: -130.698
where: short stacking energy: -60.466
Base-Backbone interact. energy: -0.001
local terms energy: -78.667448
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.071
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: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -203.308385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.308385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.308385 (E_RNA)
where:
Base-Base interactions energy: -133.516
where: short stacking energy: -72.119
Base-Backbone interact. energy: -0.023
local terms energy: -69.769856
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -208.134294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.134294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.134294 (E_RNA)
where:
Base-Base interactions energy: -132.929
where: short stacking energy: -70.783
Base-Backbone interact. energy: -0.009
local terms energy: -75.196081
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.335
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: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -177.661428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.661428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.661428 (E_RNA)
where:
Base-Base interactions energy: -106.315
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.943
local terms energy: -70.402877
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -95.534456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.534456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.534456 (E_RNA)
where:
Base-Base interactions energy: -41.900
where: short stacking energy: -29.356
Base-Backbone interact. energy: -0.107
local terms energy: -53.526979
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -90.680419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.680419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.680419 (E_RNA)
where:
Base-Base interactions energy: -36.547
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.124
local terms energy: -54.009479
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -85.374313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.374313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.374313 (E_RNA)
where:
Base-Base interactions energy: -34.800
where: short stacking energy: -32.993
Base-Backbone interact. energy: -0.033
local terms energy: -50.540464
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -93.197178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.197178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.197178 (E_RNA)
where:
Base-Base interactions energy: -40.014
where: short stacking energy: -31.559
Base-Backbone interact. energy: -0.579
local terms energy: -52.604264
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -7.133
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: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -230.484784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.484784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.484784 (E_RNA)
where:
Base-Base interactions energy: -144.985
where: short stacking energy: -80.024
Base-Backbone interact. energy: -0.009
local terms energy: -85.489921
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -23.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -217.220292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.220292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.220292 (E_RNA)
where:
Base-Base interactions energy: -138.535
where: short stacking energy: -75.619
Base-Backbone interact. energy: -0.038
local terms energy: -78.647134
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -11.158
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: 3, replica: 9
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -208.251032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.251032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.251032 (E_RNA)
where:
Base-Base interactions energy: -133.230
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.492
local terms energy: -74.529242
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -11.890
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: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -215.328887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.328887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.328887 (E_RNA)
where:
Base-Base interactions energy: -138.290
where: short stacking energy: -72.483
Base-Backbone interact. energy: -0.004
local terms energy: -77.034489
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.320
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -13.187
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: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -201.762948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.762948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.762948 (E_RNA)
where:
Base-Base interactions energy: -125.480
where: short stacking energy: -64.155
Base-Backbone interact. energy: -0.219
local terms energy: -76.063977
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -165.050386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.050386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.050386 (E_RNA)
where:
Base-Base interactions energy: -102.649
where: short stacking energy: -52.930
Base-Backbone interact. energy: 0.900
local terms energy: -63.301151
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -10.601
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -11.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -104.716567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.716567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.716567 (E_RNA)
where:
Base-Base interactions energy: -43.854
where: short stacking energy: -33.800
Base-Backbone interact. energy: -0.183
local terms energy: -60.679524
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -3.964
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -91.598533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.598533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.598533 (E_RNA)
where:
Base-Base interactions energy: -45.481
where: short stacking energy: -42.396
Base-Backbone interact. energy: 3.040
local terms energy: -49.157240
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -8.314
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -85.034526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.034526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.034526 (E_RNA)
where:
Base-Base interactions energy: -33.260
where: short stacking energy: -28.162
Base-Backbone interact. energy: -0.431
local terms energy: -51.343698
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -4.709
tors. eta vs tors. theta energy: -3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -75.853861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.853861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.853861 (E_RNA)
where:
Base-Base interactions energy: -24.622
where: short stacking energy: -22.521
Base-Backbone interact. energy: 1.730
local terms energy: -52.962288
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -231.493537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.493537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.493537 (E_RNA)
where:
Base-Base interactions energy: -146.028
where: short stacking energy: -82.934
Base-Backbone interact. energy: -0.020
local terms energy: -85.445090
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -221.825943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.825943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.825943 (E_RNA)
where:
Base-Base interactions energy: -133.554
where: short stacking energy: -72.018
Base-Backbone interact. energy: -0.002
local terms energy: -88.270288
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -219.490215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.490215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.490215 (E_RNA)
where:
Base-Base interactions energy: -137.322
where: short stacking energy: -75.340
Base-Backbone interact. energy: -0.109
local terms energy: -82.059069
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.199
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: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -203.662152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.662152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.662152 (E_RNA)
where:
Base-Base interactions energy: -129.529
where: short stacking energy: -72.172
Base-Backbone interact. energy: -0.052
local terms energy: -74.080950
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -201.744131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.744131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.744131 (E_RNA)
where:
Base-Base interactions energy: -128.269
where: short stacking energy: -67.580
Base-Backbone interact. energy: -0.633
local terms energy: -72.842004
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -7.827
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -10.708
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: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -188.367506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.367506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.367506 (E_RNA)
where:
Base-Base interactions energy: -119.621
where: short stacking energy: -62.211
Base-Backbone interact. energy: -0.000
local terms energy: -68.745945
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -11.140
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: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -93.837005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.837005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.837005 (E_RNA)
where:
Base-Base interactions energy: -44.116
where: short stacking energy: -38.894
Base-Backbone interact. energy: 0.296
local terms energy: -50.017173
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -11.272
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: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -97.722410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.722410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.722410 (E_RNA)
where:
Base-Base interactions energy: -38.157
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.056
local terms energy: -59.509554
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -93.722331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.722331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.722331 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -28.074
Base-Backbone interact. energy: -0.168
local terms energy: -53.545370
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -75.423905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.423905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.423905 (E_RNA)
where:
Base-Base interactions energy: -27.398
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.004
local terms energy: -48.022033
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -4.159
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: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -226.552700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.552700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.552700 (E_RNA)
where:
Base-Base interactions energy: -143.571
where: short stacking energy: -75.270
Base-Backbone interact. energy: -0.023
local terms energy: -82.958485
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -218.924708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.924708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.924708 (E_RNA)
where:
Base-Base interactions energy: -143.013
where: short stacking energy: -79.607
Base-Backbone interact. energy: -0.005
local terms energy: -75.906580
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -224.043218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.043218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.043218 (E_RNA)
where:
Base-Base interactions energy: -140.283
where: short stacking energy: -75.126
Base-Backbone interact. energy: -0.010
local terms energy: -83.750045
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -23.631
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: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -203.720206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.720206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.720206 (E_RNA)
where:
Base-Base interactions energy: -130.301
where: short stacking energy: -64.638
Base-Backbone interact. energy: -0.749
local terms energy: -72.670013
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -15.813
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: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -201.909189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.909189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.909189 (E_RNA)
where:
Base-Base interactions energy: -126.127
where: short stacking energy: -69.968
Base-Backbone interact. energy: 0.154
local terms energy: -75.936728
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -22.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -202.367414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.367414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.367414 (E_RNA)
where:
Base-Base interactions energy: -131.055
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.292
local terms energy: -71.020985
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -11.137
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: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -115.354666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.354666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.354666 (E_RNA)
where:
Base-Base interactions energy: -58.691
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.277
local terms energy: -56.385975
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -116.619088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.619088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.619088 (E_RNA)
where:
Base-Base interactions energy: -56.714
where: short stacking energy: -28.579
Base-Backbone interact. energy: -0.634
local terms energy: -59.271036
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -80.290828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.290828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.290828 (E_RNA)
where:
Base-Base interactions energy: -28.501
where: short stacking energy: -28.501
Base-Backbone interact. energy: -0.086
local terms energy: -51.704670
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -82.049388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.049388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.049388 (E_RNA)
where:
Base-Base interactions energy: -25.845
where: short stacking energy: -23.986
Base-Backbone interact. energy: -0.144
local terms energy: -56.059572
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -10.669
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: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -227.529807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.529807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.529807 (E_RNA)
where:
Base-Base interactions energy: -144.698
where: short stacking energy: -82.898
Base-Backbone interact. energy: -0.488
local terms energy: -82.343628
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -233.658132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.658132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.658132 (E_RNA)
where:
Base-Base interactions energy: -146.317
where: short stacking energy: -82.247
Base-Backbone interact. energy: -0.033
local terms energy: -87.307926
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -24.788
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: 288
Temperature: 1.000000
Total energy: -202.445121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.445121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.445121 (E_RNA)
where:
Base-Base interactions energy: -129.899
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.218
local terms energy: -72.328472
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -194.801225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.801225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.801225 (E_RNA)
where:
Base-Base interactions energy: -118.997
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.153
local terms energy: -75.651560
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -212.229421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.229421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.229421 (E_RNA)
where:
Base-Base interactions energy: -134.419
where: short stacking energy: -70.059
Base-Backbone interact. energy: -0.001
local terms energy: -77.809306
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -193.366693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.366693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.366693 (E_RNA)
where:
Base-Base interactions energy: -118.260
where: short stacking energy: -71.770
Base-Backbone interact. energy: -0.001
local terms energy: -75.105876
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -117.558163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.558163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.558163 (E_RNA)
where:
Base-Base interactions energy: -59.007
where: short stacking energy: -40.677
Base-Backbone interact. energy: -0.228
local terms energy: -58.323009
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -149.826761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.826761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.826761 (E_RNA)
where:
Base-Base interactions energy: -79.844
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.140
local terms energy: -69.842861
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -13.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -88.673248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.673248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.673248 (E_RNA)
where:
Base-Base interactions energy: -32.591
where: short stacking energy: -32.591
Base-Backbone interact. energy: -0.098
local terms energy: -55.983945
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -11.075
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: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -82.755736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.755736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.755736 (E_RNA)
where:
Base-Base interactions energy: -31.205
where: short stacking energy: -31.205
Base-Backbone interact. energy: -0.736
local terms energy: -50.814441
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -7.753
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: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -229.907212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.907212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.907212 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -79.391
Base-Backbone interact. energy: -0.015
local terms energy: -87.451264
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -230.265824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.265824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.265824 (E_RNA)
where:
Base-Base interactions energy: -144.878
where: short stacking energy: -82.633
Base-Backbone interact. energy: -0.012
local terms energy: -85.375436
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -18.986
flat angles P-C4'-P energy: -12.847
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: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -208.018781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.018781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.018781 (E_RNA)
where:
Base-Base interactions energy: -141.513
where: short stacking energy: -73.241
Base-Backbone interact. energy: -0.433
local terms energy: -66.071975
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -19.606
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: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -219.473404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.473404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.473404 (E_RNA)
where:
Base-Base interactions energy: -136.388
where: short stacking energy: -67.419
Base-Backbone interact. energy: -0.060
local terms energy: -83.025504
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -12.325
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: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -196.507545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.507545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.507545 (E_RNA)
where:
Base-Base interactions energy: -126.483
where: short stacking energy: -67.958
Base-Backbone interact. energy: -0.001
local terms energy: -70.023665
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -18.327
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: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -194.574303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.574303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.574303 (E_RNA)
where:
Base-Base interactions energy: -111.481
where: short stacking energy: -56.443
Base-Backbone interact. energy: -0.071
local terms energy: -83.022426
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -106.676842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.676842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.676842 (E_RNA)
where:
Base-Base interactions energy: -45.831
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.196
local terms energy: -60.649784
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -97.979237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.979237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.979237 (E_RNA)
where:
Base-Base interactions energy: -40.167
where: short stacking energy: -40.167
Base-Backbone interact. energy: -0.015
local terms energy: -57.796799
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -8.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -137.489707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.489707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.489707 (E_RNA)
where:
Base-Base interactions energy: -74.972
where: short stacking energy: -42.050
Base-Backbone interact. energy: -0.059
local terms energy: -62.458976
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -10.808
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: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -89.195562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.195562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.195562 (E_RNA)
where:
Base-Base interactions energy: -25.000
where: short stacking energy: -25.000
Base-Backbone interact. energy: 0.202
local terms energy: -64.396935
where:
bonds (distance) C4'-P energy: -13.956
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -9.866
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: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -229.091799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.091799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.091799 (E_RNA)
where:
Base-Base interactions energy: -147.273
where: short stacking energy: -81.676
Base-Backbone interact. energy: -0.001
local terms energy: -81.818091
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -224.107579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.107579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.107579 (E_RNA)
where:
Base-Base interactions energy: -145.372
where: short stacking energy: -80.416
Base-Backbone interact. energy: -0.304
local terms energy: -78.431909
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -216.722520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.722520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.722520 (E_RNA)
where:
Base-Base interactions energy: -138.499
where: short stacking energy: -77.356
Base-Backbone interact. energy: -0.075
local terms energy: -78.148866
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -8.553
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: 4, replica: 1
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -196.636987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.636987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.636987 (E_RNA)
where:
Base-Base interactions energy: -125.092
where: short stacking energy: -69.690
Base-Backbone interact. energy: -0.066
local terms energy: -71.479185
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -184.145090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.145090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.145090 (E_RNA)
where:
Base-Base interactions energy: -108.127
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.178
local terms energy: -75.840912
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -187.461281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.461281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.461281 (E_RNA)
where:
Base-Base interactions energy: -116.318
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.105
local terms energy: -71.038454
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -92.639019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.639019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.639019 (E_RNA)
where:
Base-Base interactions energy: -41.054
where: short stacking energy: -41.054
Base-Backbone interact. energy: -0.272
local terms energy: -51.313183
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -6.741
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -8.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -89.089760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.089760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.089760 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -36.642
Base-Backbone interact. energy: -0.134
local terms energy: -52.313663
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -112.354350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.354350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.354350 (E_RNA)
where:
Base-Base interactions energy: -70.134
where: short stacking energy: -42.786
Base-Backbone interact. energy: -0.733
local terms energy: -41.487076
where:
bonds (distance) C4'-P energy: -4.624
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -96.997919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.997919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.997919 (E_RNA)
where:
Base-Base interactions energy: -39.716
where: short stacking energy: -31.675
Base-Backbone interact. energy: -0.274
local terms energy: -57.007149
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.481
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: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -232.560404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.560404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.560404 (E_RNA)
where:
Base-Base interactions energy: -150.533
where: short stacking energy: -86.098
Base-Backbone interact. energy: -0.073
local terms energy: -81.954139
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -222.672574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.672574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.672574 (E_RNA)
where:
Base-Base interactions energy: -136.870
where: short stacking energy: -74.582
Base-Backbone interact. energy: -0.000
local terms energy: -85.802643
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -21.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -211.206301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.206301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.206301 (E_RNA)
where:
Base-Base interactions energy: -127.705
where: short stacking energy: -73.004
Base-Backbone interact. energy: -0.000
local terms energy: -83.500881
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -23.224
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: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -193.794900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.794900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.794900 (E_RNA)
where:
Base-Base interactions energy: -126.889
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.003
local terms energy: -66.903145
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -194.348573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.348573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.348573 (E_RNA)
where:
Base-Base interactions energy: -118.352
where: short stacking energy: -65.137
Base-Backbone interact. energy: -0.010
local terms energy: -75.987059
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -10.515
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: 291
Temperature: 1.150000
Total energy: -177.243392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.243392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.243392 (E_RNA)
where:
Base-Base interactions energy: -107.309
where: short stacking energy: -59.099
Base-Backbone interact. energy: -0.051
local terms energy: -69.883707
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -99.134375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.134375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.134375 (E_RNA)
where:
Base-Base interactions energy: -50.898
where: short stacking energy: -28.883
Base-Backbone interact. energy: 0.374
local terms energy: -48.609989
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -86.049242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.049242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.049242 (E_RNA)
where:
Base-Base interactions energy: -46.185
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.167
local terms energy: -39.696703
where:
bonds (distance) C4'-P energy: -9.580
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: 5.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -85.271915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.271915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.271915 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -25.595
Base-Backbone interact. energy: -0.365
local terms energy: -50.688425
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -8.134
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -84.331841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.331841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.331841 (E_RNA)
where:
Base-Base interactions energy: -33.938
where: short stacking energy: -31.796
Base-Backbone interact. energy: 0.794
local terms energy: -51.187711
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -7.958
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -2.550
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: 3
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -228.543330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.543330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.543330 (E_RNA)
where:
Base-Base interactions energy: -137.885
where: short stacking energy: -73.773
Base-Backbone interact. energy: -0.633
local terms energy: -90.025259
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -23.942
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: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -219.999710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.999710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.999710 (E_RNA)
where:
Base-Base interactions energy: -145.130
where: short stacking energy: -82.380
Base-Backbone interact. energy: -0.031
local terms energy: -74.838020
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -211.465984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.465984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.465984 (E_RNA)
where:
Base-Base interactions energy: -127.120
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.195
local terms energy: -84.151226
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -13.331
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: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -203.876196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.876196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.876196 (E_RNA)
where:
Base-Base interactions energy: -130.146
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.014
local terms energy: -73.716553
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -10.207
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: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -190.193020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.193020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.193020 (E_RNA)
where:
Base-Base interactions energy: -123.931
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.046
local terms energy: -66.216002
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -186.715434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.715434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.715434 (E_RNA)
where:
Base-Base interactions energy: -116.242
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.054
local terms energy: -70.420221
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -8.563
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: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -101.942666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.942666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.942666 (E_RNA)
where:
Base-Base interactions energy: -37.295
where: short stacking energy: -37.295
Base-Backbone interact. energy: -0.209
local terms energy: -64.438395
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -13.186
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: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -94.147747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.147747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.147747 (E_RNA)
where:
Base-Base interactions energy: -39.488
where: short stacking energy: -39.488
Base-Backbone interact. energy: -0.483
local terms energy: -54.176612
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -4.083
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -73.434304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.434304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.434304 (E_RNA)
where:
Base-Base interactions energy: -22.765
where: short stacking energy: -22.765
Base-Backbone interact. energy: -0.068
local terms energy: -50.601016
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -79.562931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.562931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.562931 (E_RNA)
where:
Base-Base interactions energy: -32.860
where: short stacking energy: -25.856
Base-Backbone interact. energy: -0.614
local terms energy: -46.088843
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -3.572
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: 1, replica: 3
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -230.156642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.156642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.156642 (E_RNA)
where:
Base-Base interactions energy: -144.859
where: short stacking energy: -82.131
Base-Backbone interact. energy: -0.011
local terms energy: -85.287298
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -14.354
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -220.327682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.327682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.327682 (E_RNA)
where:
Base-Base interactions energy: -143.506
where: short stacking energy: -77.939
Base-Backbone interact. energy: -0.022
local terms energy: -76.799722
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -219.923837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.923837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.923837 (E_RNA)
where:
Base-Base interactions energy: -145.158
where: short stacking energy: -74.446
Base-Backbone interact. energy: -0.592
local terms energy: -74.173723
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -161.247302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.247302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.247302 (E_RNA)
where:
Base-Base interactions energy: -99.293
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.052
local terms energy: -61.902728
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -181.915814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.915814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.915814 (E_RNA)
where:
Base-Base interactions energy: -114.266
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.510
local terms energy: -67.139680
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -10.633
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: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -201.550457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.550457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.550457 (E_RNA)
where:
Base-Base interactions energy: -130.513
where: short stacking energy: -70.189
Base-Backbone interact. energy: -0.004
local terms energy: -71.033753
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -99.944273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.944273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.944273 (E_RNA)
where:
Base-Base interactions energy: -47.687
where: short stacking energy: -26.890
Base-Backbone interact. energy: -0.241
local terms energy: -52.016022
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -10.220
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: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -83.352961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352961 (E_RNA)
where:
Base-Base interactions energy: -30.468
where: short stacking energy: -30.468
Base-Backbone interact. energy: -0.068
local terms energy: -52.817243
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -85.967971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.967971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.967971 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -23.623
Base-Backbone interact. energy: -1.141
local terms energy: -47.530873
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -5.825
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: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -77.613269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.613269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.613269 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.893
local terms energy: -43.996025
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -7.756
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -230.752014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.752014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.752014 (E_RNA)
where:
Base-Base interactions energy: -149.304
where: short stacking energy: -81.106
Base-Backbone interact. energy: -0.037
local terms energy: -81.411326
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -230.016863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.016863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.016863 (E_RNA)
where:
Base-Base interactions energy: -146.931
where: short stacking energy: -70.851
Base-Backbone interact. energy: -0.586
local terms energy: -82.499537
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -221.264546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.264546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.264546 (E_RNA)
where:
Base-Base interactions energy: -137.089
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.052
local terms energy: -84.123838
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -181.710869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.710869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.710869 (E_RNA)
where:
Base-Base interactions energy: -115.475
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.169
local terms energy: -66.067096
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -197.362746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.362746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.362746 (E_RNA)
where:
Base-Base interactions energy: -125.482
where: short stacking energy: -67.844
Base-Backbone interact. energy: -0.003
local terms energy: -71.877575
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -189.795523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.795523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.795523 (E_RNA)
where:
Base-Base interactions energy: -121.278
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.095
local terms energy: -68.422845
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -108.561491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.561491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.561491 (E_RNA)
where:
Base-Base interactions energy: -43.193
where: short stacking energy: -43.193
Base-Backbone interact. energy: -0.088
local terms energy: -65.279912
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -83.563559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.563559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.563559 (E_RNA)
where:
Base-Base interactions energy: -28.471
where: short stacking energy: -28.471
Base-Backbone interact. energy: 1.124
local terms energy: -56.217162
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -4.266
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: 294
Temperature: 1.300000
Total energy: -78.054398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.054398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.054398 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -22.204
Base-Backbone interact. energy: -0.339
local terms energy: -51.062703
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: 0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -86.918475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.918475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.918475 (E_RNA)
where:
Base-Base interactions energy: -31.100
where: short stacking energy: -31.100
Base-Backbone interact. energy: -0.207
local terms energy: -55.611786
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -224.608144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.608144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.608144 (E_RNA)
where:
Base-Base interactions energy: -141.084
where: short stacking energy: -78.614
Base-Backbone interact. energy: -0.213
local terms energy: -83.310888
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -12.924
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -221.696285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.696285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.696285 (E_RNA)
where:
Base-Base interactions energy: -135.817
where: short stacking energy: -76.447
Base-Backbone interact. energy: -0.002
local terms energy: -85.877642
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -24.311
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: 7
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -212.035117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.035117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.035117 (E_RNA)
where:
Base-Base interactions energy: -132.267
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.054
local terms energy: -79.713905
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -208.319759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.319759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.319759 (E_RNA)
where:
Base-Base interactions energy: -129.403
where: short stacking energy: -71.817
Base-Backbone interact. energy: -0.002
local terms energy: -78.914500
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -177.884437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.884437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.884437 (E_RNA)
where:
Base-Base interactions energy: -116.047
where: short stacking energy: -51.171
Base-Backbone interact. energy: 1.907
local terms energy: -63.744442
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -9.145
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: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -201.763632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.763632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.763632 (E_RNA)
where:
Base-Base interactions energy: -127.402
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.006
local terms energy: -74.355390
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -17.341
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: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -107.073851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.073851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.073851 (E_RNA)
where:
Base-Base interactions energy: -49.977
where: short stacking energy: -37.066
Base-Backbone interact. energy: -0.172
local terms energy: -56.924366
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -94.486951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.486951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.486951 (E_RNA)
where:
Base-Base interactions energy: -27.277
where: short stacking energy: -27.277
Base-Backbone interact. energy: -0.235
local terms energy: -66.974899
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -85.245773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.245773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.245773 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.227
local terms energy: -51.142160
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -7.974
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: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -82.085277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.085277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.085277 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -24.542
Base-Backbone interact. energy: 0.497
local terms energy: -49.229495
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -8.130
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: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -205.863761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.863761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.863761 (E_RNA)
where:
Base-Base interactions energy: -131.171
where: short stacking energy: -64.065
Base-Backbone interact. energy: 0.274
local terms energy: -74.966301
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -234.691748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.691748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.691748 (E_RNA)
where:
Base-Base interactions energy: -147.272
where: short stacking energy: -82.511
Base-Backbone interact. energy: -0.013
local terms energy: -87.406052
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -217.263860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.263860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.263860 (E_RNA)
where:
Base-Base interactions energy: -139.379
where: short stacking energy: -78.917
Base-Backbone interact. energy: -0.008
local terms energy: -77.876770
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -9.530
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: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -198.519368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.519368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.519368 (E_RNA)
where:
Base-Base interactions energy: -130.439
where: short stacking energy: -64.554
Base-Backbone interact. energy: -0.037
local terms energy: -68.043808
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -194.713986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.713986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.713986 (E_RNA)
where:
Base-Base interactions energy: -121.668
where: short stacking energy: -52.567
Base-Backbone interact. energy: -0.114
local terms energy: -72.932017
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -157.143299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.143299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.143299 (E_RNA)
where:
Base-Base interactions energy: -93.172
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.916
local terms energy: -63.055244
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -8.750
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: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -92.905379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.905379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.905379 (E_RNA)
where:
Base-Base interactions energy: -37.943
where: short stacking energy: -19.187
Base-Backbone interact. energy: -0.255
local terms energy: -54.708029
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -104.435314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.435314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.435314 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -46.250
Base-Backbone interact. energy: -0.233
local terms energy: -54.966946
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -11.136
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -89.973682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.973682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.973682 (E_RNA)
where:
Base-Base interactions energy: -35.555
where: short stacking energy: -34.643
Base-Backbone interact. energy: 1.046
local terms energy: -55.465449
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -78.117053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.117053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.117053 (E_RNA)
where:
Base-Base interactions energy: -25.217
where: short stacking energy: -22.300
Base-Backbone interact. energy: -1.354
local terms energy: -51.546130
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.598
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: 297
Temperature: 0.900000
Total energy: -220.513672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.513672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.513672 (E_RNA)
where:
Base-Base interactions energy: -136.839
where: short stacking energy: -73.549
Base-Backbone interact. energy: -0.020
local terms energy: -83.654405
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -20.688
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: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -225.359597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.359597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.359597 (E_RNA)
where:
Base-Base interactions energy: -141.095
where: short stacking energy: -80.184
Base-Backbone interact. energy: -0.000
local terms energy: -84.264635
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -14.501
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: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -227.214648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.214648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.214648 (E_RNA)
where:
Base-Base interactions energy: -148.748
where: short stacking energy: -84.344
Base-Backbone interact. energy: -0.004
local terms energy: -78.462548
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -23.942
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: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -218.629179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.629179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.629179 (E_RNA)
where:
Base-Base interactions energy: -138.121
where: short stacking energy: -78.590
Base-Backbone interact. energy: 0.391
local terms energy: -80.899330
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -9.038
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: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -187.838220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.838220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.838220 (E_RNA)
where:
Base-Base interactions energy: -116.491
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.064
local terms energy: -71.282801
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -152.635588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.635588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.635588 (E_RNA)
where:
Base-Base interactions energy: -88.933
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.593
local terms energy: -63.110128
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -100.251900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.251900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.251900 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -33.604
Base-Backbone interact. energy: 0.240
local terms energy: -65.530026
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -113.041936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.041936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.041936 (E_RNA)
where:
Base-Base interactions energy: -65.521
where: short stacking energy: -28.727
Base-Backbone interact. energy: 0.681
local terms energy: -48.201384
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -2.187
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: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -83.948434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.948434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.948434 (E_RNA)
where:
Base-Base interactions energy: -29.010
where: short stacking energy: -28.238
Base-Backbone interact. energy: -0.172
local terms energy: -54.766363
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -90.431830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.431830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.431830 (E_RNA)
where:
Base-Base interactions energy: -30.840
where: short stacking energy: -30.840
Base-Backbone interact. energy: 0.943
local terms energy: -60.534879
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -4.967
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: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -236.690418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.690418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.690418 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -81.196
Base-Backbone interact. energy: -0.055
local terms energy: -89.382358
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -227.132471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.132471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.132471 (E_RNA)
where:
Base-Base interactions energy: -144.135
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.279
local terms energy: -82.718157
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -223.481427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.481427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.481427 (E_RNA)
where:
Base-Base interactions energy: -138.604
where: short stacking energy: -76.519
Base-Backbone interact. energy: -0.043
local terms energy: -84.834633
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -13.636
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: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -209.459475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.459475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.459475 (E_RNA)
where:
Base-Base interactions energy: -128.246
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.629
local terms energy: -80.584825
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -192.941631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.941631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.941631 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -65.515
Base-Backbone interact. energy: -0.156
local terms energy: -62.520112
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -151.896962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.896962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.896962 (E_RNA)
where:
Base-Base interactions energy: -83.995
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.554
local terms energy: -67.348363
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -99.918635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.918635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.918635 (E_RNA)
where:
Base-Base interactions energy: -51.757
where: short stacking energy: -51.044
Base-Backbone interact. energy: 0.416
local terms energy: -48.577767
where:
bonds (distance) C4'-P energy: -8.934
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -92.946503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.946503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.946503 (E_RNA)
where:
Base-Base interactions energy: -38.334
where: short stacking energy: -21.687
Base-Backbone interact. energy: -0.498
local terms energy: -54.113939
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.286
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: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -80.920765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.920765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.920765 (E_RNA)
where:
Base-Base interactions energy: -29.674
where: short stacking energy: -28.127
Base-Backbone interact. energy: -0.111
local terms energy: -51.135644
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -7.430
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: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -84.326333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.326333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.326333 (E_RNA)
where:
Base-Base interactions energy: -34.538
where: short stacking energy: -34.538
Base-Backbone interact. energy: 0.027
local terms energy: -49.815120
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -3.597
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -229.590367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.590367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590367 (E_RNA)
where:
Base-Base interactions energy: -142.745
where: short stacking energy: -79.904
Base-Backbone interact. energy: -0.033
local terms energy: -86.812399
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -223.005102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.005102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.005102 (E_RNA)
where:
Base-Base interactions energy: -143.397
where: short stacking energy: -79.870
Base-Backbone interact. energy: -0.028
local terms energy: -79.579733
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -24.140
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: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -221.306758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.306758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.306758 (E_RNA)
where:
Base-Base interactions energy: -140.433
where: short stacking energy: -74.599
Base-Backbone interact. energy: -0.132
local terms energy: -80.741531
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -205.200725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.200725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.200725 (E_RNA)
where:
Base-Base interactions energy: -128.997
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.041
local terms energy: -76.162849
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -196.060433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.060433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.060433 (E_RNA)
where:
Base-Base interactions energy: -126.881
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.007
local terms energy: -69.173129
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -7.532
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: 6, replica: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -139.251033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.251033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.251033 (E_RNA)
where:
Base-Base interactions energy: -72.033
where: short stacking energy: -31.270
Base-Backbone interact. energy: -0.084
local terms energy: -67.134143
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -100.820778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.820778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.820778 (E_RNA)
where:
Base-Base interactions energy: -47.863
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.292
local terms energy: -52.666108
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -103.742869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.742869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.742869 (E_RNA)
where:
Base-Base interactions energy: -53.740
where: short stacking energy: -31.536
Base-Backbone interact. energy: -0.150
local terms energy: -49.852334
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -7.111
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: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -88.326747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.326747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.326747 (E_RNA)
where:
Base-Base interactions energy: -43.181
where: short stacking energy: -24.663
Base-Backbone interact. energy: -0.004
local terms energy: -45.141182
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -79.547723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.547723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.547723 (E_RNA)
where:
Base-Base interactions energy: -25.236
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.093
local terms energy: -54.219401
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -223.938604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.938604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.938604 (E_RNA)
where:
Base-Base interactions energy: -135.926
where: short stacking energy: -76.478
Base-Backbone interact. energy: -0.000
local terms energy: -88.012288
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -19.413
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -227.774448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.774448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.774448 (E_RNA)
where:
Base-Base interactions energy: -145.445
where: short stacking energy: -80.129
Base-Backbone interact. energy: -0.016
local terms energy: -82.313223
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -209.440539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.440539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.440539 (E_RNA)
where:
Base-Base interactions energy: -129.610
where: short stacking energy: -70.502
Base-Backbone interact. energy: -0.035
local terms energy: -79.795623
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -211.350205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.350205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.350205 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.022
local terms energy: -82.492475
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -24.450
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: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -183.676833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.676833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.676833 (E_RNA)
where:
Base-Base interactions energy: -116.511
where: short stacking energy: -51.612
Base-Backbone interact. energy: -0.005
local terms energy: -67.160452
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -12.717
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -182.005270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.005270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.005270 (E_RNA)
where:
Base-Base interactions energy: -114.404
where: short stacking energy: -54.632
Base-Backbone interact. energy: -0.136
local terms energy: -67.465701
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -94.192294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.192294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.192294 (E_RNA)
where:
Base-Base interactions energy: -34.943
where: short stacking energy: -34.765
Base-Backbone interact. energy: 0.424
local terms energy: -59.672924
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -6.206
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: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -89.056175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.056175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.056175 (E_RNA)
where:
Base-Base interactions energy: -33.552
where: short stacking energy: -33.552
Base-Backbone interact. energy: 1.754
local terms energy: -57.258040
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -89.136744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.136744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.136744 (E_RNA)
where:
Base-Base interactions energy: -31.730
where: short stacking energy: -30.562
Base-Backbone interact. energy: -0.074
local terms energy: -57.333027
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -1.031
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: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -86.641383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.641383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.641383 (E_RNA)
where:
Base-Base interactions energy: -30.636
where: short stacking energy: -30.636
Base-Backbone interact. energy: -0.043
local terms energy: -55.962522
where:
bonds (distance) C4'-P energy: -6.761
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -4.520
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: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -233.310455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.310455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.310455 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -83.385
Base-Backbone interact. energy: -0.022
local terms energy: -86.087707
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -217.806723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.806723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.806723 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -68.771
Base-Backbone interact. energy: -0.651
local terms energy: -82.934874
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -12.268
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: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -230.129714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.129714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.129714 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -79.124
Base-Backbone interact. energy: -0.040
local terms energy: -82.029804
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -215.343165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.343165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.343165 (E_RNA)
where:
Base-Base interactions energy: -135.861
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.603
local terms energy: -78.878726
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -201.899202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.899202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.899202 (E_RNA)
where:
Base-Base interactions energy: -122.596
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.030
local terms energy: -79.273663
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -189.040926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.040926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.040926 (E_RNA)
where:
Base-Base interactions energy: -121.322
where: short stacking energy: -56.210
Base-Backbone interact. energy: -0.353
local terms energy: -67.366216
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -15.815
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: 301
Temperature: 1.200000
Total energy: -95.912563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.912563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.912563 (E_RNA)
where:
Base-Base interactions energy: -39.202
where: short stacking energy: -39.202
Base-Backbone interact. energy: -0.218
local terms energy: -56.492828
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -91.863546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.863546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.863546 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -27.015
Base-Backbone interact. energy: -0.040
local terms energy: -53.223937
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -105.469451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469451 (E_RNA)
where:
Base-Base interactions energy: -54.853
where: short stacking energy: -49.025
Base-Backbone interact. energy: -0.519
local terms energy: -50.097806
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -14.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -87.425216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.425216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.425216 (E_RNA)
where:
Base-Base interactions energy: -39.941
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.225
local terms energy: -47.259753
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -3.865
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -228.900568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.900568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.900568 (E_RNA)
where:
Base-Base interactions energy: -146.009
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.003
local terms energy: -82.889343
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -13.805
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: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -222.789862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.789862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.789862 (E_RNA)
where:
Base-Base interactions energy: -140.862
where: short stacking energy: -79.207
Base-Backbone interact. energy: -0.001
local terms energy: -81.926566
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -22.330
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: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -216.301218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.301218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.301218 (E_RNA)
where:
Base-Base interactions energy: -139.991
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.034
local terms energy: -76.276183
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -12.359
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: 4, replica: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -207.649334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.649334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.649334 (E_RNA)
where:
Base-Base interactions energy: -128.192
where: short stacking energy: -71.096
Base-Backbone interact. energy: -0.011
local terms energy: -79.446084
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -12.889
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: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -184.303539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.303539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.303539 (E_RNA)
where:
Base-Base interactions energy: -115.444
where: short stacking energy: -55.484
Base-Backbone interact. energy: -1.083
local terms energy: -67.777079
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -191.674334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.674334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.674334 (E_RNA)
where:
Base-Base interactions energy: -124.937
where: short stacking energy: -59.505
Base-Backbone interact. energy: -0.245
local terms energy: -66.491974
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -103.496565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.496565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.496565 (E_RNA)
where:
Base-Base interactions energy: -45.376
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.112
local terms energy: -58.008592
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -9.147
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: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -92.197690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.197690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.197690 (E_RNA)
where:
Base-Base interactions energy: -37.799
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.021
local terms energy: -54.378017
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -3.968
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -94.128399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.128399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.128399 (E_RNA)
where:
Base-Base interactions energy: -40.650
where: short stacking energy: -36.494
Base-Backbone interact. energy: 0.156
local terms energy: -53.634405
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -88.366370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.366370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.366370 (E_RNA)
where:
Base-Base interactions energy: -34.625
where: short stacking energy: -19.955
Base-Backbone interact. energy: -0.390
local terms energy: -53.351054
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: 1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -224.682602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.682602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.682602 (E_RNA)
where:
Base-Base interactions energy: -137.971
where: short stacking energy: -77.122
Base-Backbone interact. energy: -0.001
local terms energy: -86.709858
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -223.783370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.783370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.783370 (E_RNA)
where:
Base-Base interactions energy: -140.264
where: short stacking energy: -75.408
Base-Backbone interact. energy: -0.089
local terms energy: -83.430653
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -19.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -222.370833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.370833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.370833 (E_RNA)
where:
Base-Base interactions energy: -141.729
where: short stacking energy: -74.742
Base-Backbone interact. energy: -0.003
local terms energy: -80.638565
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -21.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -197.995600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.995600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.995600 (E_RNA)
where:
Base-Base interactions energy: -131.431
where: short stacking energy: -63.791
Base-Backbone interact. energy: -0.215
local terms energy: -66.349719
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -190.705331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.705331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.705331 (E_RNA)
where:
Base-Base interactions energy: -126.240
where: short stacking energy: -74.421
Base-Backbone interact. energy: -0.110
local terms energy: -64.354893
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -8.543
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -15.267
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: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -194.510905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.510905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.510905 (E_RNA)
where:
Base-Base interactions energy: -125.992
where: short stacking energy: -61.751
Base-Backbone interact. energy: -0.006
local terms energy: -68.512334
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -1.339
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: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -98.537295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.537295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.537295 (E_RNA)
where:
Base-Base interactions energy: -46.242
where: short stacking energy: -32.183
Base-Backbone interact. energy: -0.343
local terms energy: -51.952301
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -8.311
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: 303
Temperature: 1.250000
Total energy: -90.240484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240484 (E_RNA)
where:
Base-Base interactions energy: -42.649
where: short stacking energy: -42.649
Base-Backbone interact. energy: -0.005
local terms energy: -47.586257
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: 0.695
tors. eta vs tors. theta energy: -11.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -89.119782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.119782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.119782 (E_RNA)
where:
Base-Base interactions energy: -29.176
where: short stacking energy: -22.615
Base-Backbone interact. energy: -0.149
local terms energy: -59.795082
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.568
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: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -81.948534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.948534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.948534 (E_RNA)
where:
Base-Base interactions energy: -33.646
where: short stacking energy: -32.529
Base-Backbone interact. energy: -0.151
local terms energy: -48.150746
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -228.137597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.137597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.137597 (E_RNA)
where:
Base-Base interactions energy: -145.527
where: short stacking energy: -75.273
Base-Backbone interact. energy: -0.006
local terms energy: -82.603719
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -222.576713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.576713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.576713 (E_RNA)
where:
Base-Base interactions energy: -144.048
where: short stacking energy: -76.540
Base-Backbone interact. energy: -0.007
local terms energy: -78.521603
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -21.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -211.863601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.863601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.863601 (E_RNA)
where:
Base-Base interactions energy: -138.335
where: short stacking energy: -73.272
Base-Backbone interact. energy: -0.065
local terms energy: -73.464107
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -13.439
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: 7
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -225.326524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.326524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.326524 (E_RNA)
where:
Base-Base interactions energy: -142.284
where: short stacking energy: -76.983
Base-Backbone interact. energy: -0.289
local terms energy: -82.753208
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -189.858893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.858893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.858893 (E_RNA)
where:
Base-Base interactions energy: -125.080
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.099
local terms energy: -64.680338
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -170.783731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.783731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.783731 (E_RNA)
where:
Base-Base interactions energy: -104.163
where: short stacking energy: -56.411
Base-Backbone interact. energy: -0.160
local terms energy: -66.460718
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -97.197295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.197295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.197295 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -27.451
Base-Backbone interact. energy: 0.297
local terms energy: -63.707785
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -95.461503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.461503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.461503 (E_RNA)
where:
Base-Base interactions energy: -38.714
where: short stacking energy: -38.714
Base-Backbone interact. energy: -0.054
local terms energy: -56.693432
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -7.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -90.690773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690773 (E_RNA)
where:
Base-Base interactions energy: -47.389
where: short stacking energy: -28.992
Base-Backbone interact. energy: -0.939
local terms energy: -42.363013
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -6.920
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -79.807960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.807960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.807960 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -22.761
Base-Backbone interact. energy: -0.854
local terms energy: -45.817907
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -0.935
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -228.586064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.586064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.586064 (E_RNA)
where:
Base-Base interactions energy: -146.389
where: short stacking energy: -82.003
Base-Backbone interact. energy: -0.017
local terms energy: -82.179657
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -12.090
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: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -217.253045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.253045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.253045 (E_RNA)
where:
Base-Base interactions energy: -136.994
where: short stacking energy: -78.336
Base-Backbone interact. energy: -0.290
local terms energy: -79.969164
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -207.257464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.257464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.257464 (E_RNA)
where:
Base-Base interactions energy: -137.986
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.008
local terms energy: -69.263118
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -7.491
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: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -219.098459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.098459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.098459 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -80.415
Base-Backbone interact. energy: -0.042
local terms energy: -78.205373
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.069
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: 305
Temperature: 1.100000
Total energy: -197.435304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.435304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.435304 (E_RNA)
where:
Base-Base interactions energy: -124.885
where: short stacking energy: -61.391
Base-Backbone interact. energy: -0.047
local terms energy: -72.502994
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -189.126216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.126216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.126216 (E_RNA)
where:
Base-Base interactions energy: -120.999
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.004
local terms energy: -68.123746
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.075
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: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -94.989655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.989655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.989655 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -32.091
Base-Backbone interact. energy: -0.315
local terms energy: -62.400555
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -11.993
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: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -84.335613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.335613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.335613 (E_RNA)
where:
Base-Base interactions energy: -40.084
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.327
local terms energy: -43.924422
where:
bonds (distance) C4'-P energy: -4.159
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -76.170600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.170600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.170600 (E_RNA)
where:
Base-Base interactions energy: -26.191
where: short stacking energy: -23.976
Base-Backbone interact. energy: -0.318
local terms energy: -49.661181
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -9.576
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: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -82.493021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.493021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.493021 (E_RNA)
where:
Base-Base interactions energy: -25.273
where: short stacking energy: -22.193
Base-Backbone interact. energy: 0.640
local terms energy: -57.860178
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -223.148729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.148729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.148729 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -76.794
Base-Backbone interact. energy: -0.002
local terms energy: -79.423778
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -23.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -226.577977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.577977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.577977 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.017
local terms energy: -88.778879
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -23.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -224.424869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.424869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.424869 (E_RNA)
where:
Base-Base interactions energy: -147.652
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.019
local terms energy: -76.754316
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -11.762
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: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -202.568818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.568818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.568818 (E_RNA)
where:
Base-Base interactions energy: -125.158
where: short stacking energy: -66.283
Base-Backbone interact. energy: -0.587
local terms energy: -76.824089
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -209.523841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.523841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.523841 (E_RNA)
where:
Base-Base interactions energy: -132.741
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.086
local terms energy: -76.696383
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.294
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: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -194.262114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.262114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.262114 (E_RNA)
where:
Base-Base interactions energy: -125.532
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.282
local terms energy: -68.447999
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -8.812
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: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -109.453012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.453012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.453012 (E_RNA)
where:
Base-Base interactions energy: -42.061
where: short stacking energy: -39.923
Base-Backbone interact. energy: -0.095
local terms energy: -67.296801
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -7.257
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: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -95.187051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.187051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.187051 (E_RNA)
where:
Base-Base interactions energy: -43.576
where: short stacking energy: -43.391
Base-Backbone interact. energy: -0.143
local terms energy: -51.468203
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -79.175591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.175591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.175591 (E_RNA)
where:
Base-Base interactions energy: -23.392
where: short stacking energy: -22.408
Base-Backbone interact. energy: -0.621
local terms energy: -55.162831
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: 0.764
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: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -86.574270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.574270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.574270 (E_RNA)
where:
Base-Base interactions energy: -37.717
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.047
local terms energy: -48.810803
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -219.551613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.551613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.551613 (E_RNA)
where:
Base-Base interactions energy: -143.664
where: short stacking energy: -73.138
Base-Backbone interact. energy: -0.095
local terms energy: -75.792300
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -230.948474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.948474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.948474 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -79.366
Base-Backbone interact. energy: -0.009
local terms energy: -85.724462
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -13.098
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: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -220.656139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.656139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.656139 (E_RNA)
where:
Base-Base interactions energy: -138.843
where: short stacking energy: -78.142
Base-Backbone interact. energy: -0.001
local terms energy: -81.812391
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -209.506730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.506730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.506730 (E_RNA)
where:
Base-Base interactions energy: -134.341
where: short stacking energy: -61.050
Base-Backbone interact. energy: -0.176
local terms energy: -74.989802
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -12.649
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: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -201.147112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.147112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.147112 (E_RNA)
where:
Base-Base interactions energy: -127.440
where: short stacking energy: -62.362
Base-Backbone interact. energy: -0.113
local terms energy: -73.593584
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -7.838
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: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -187.788523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.788523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.788523 (E_RNA)
where:
Base-Base interactions energy: -115.762
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.328
local terms energy: -71.698782
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -111.673100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.673100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.673100 (E_RNA)
where:
Base-Base interactions energy: -50.863
where: short stacking energy: -35.708
Base-Backbone interact. energy: 0.125
local terms energy: -60.935762
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -90.628054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.628054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.628054 (E_RNA)
where:
Base-Base interactions energy: -47.390
where: short stacking energy: -18.594
Base-Backbone interact. energy: -0.212
local terms energy: -43.025824
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -87.888592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.888592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.888592 (E_RNA)
where:
Base-Base interactions energy: -35.969
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.371
local terms energy: -51.548556
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -75.292310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.292310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.292310 (E_RNA)
where:
Base-Base interactions energy: -22.585
where: short stacking energy: -22.585
Base-Backbone interact. energy: -0.104
local terms energy: -52.604023
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -8.154
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: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -228.103173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.103173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.103173 (E_RNA)
where:
Base-Base interactions energy: -147.864
where: short stacking energy: -78.315
Base-Backbone interact. energy: 0.696
local terms energy: -80.935123
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -23.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -215.025023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.025023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.025023 (E_RNA)
where:
Base-Base interactions energy: -136.163
where: short stacking energy: -76.443
Base-Backbone interact. energy: -0.075
local terms energy: -78.786795
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -204.114421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.114421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.114421 (E_RNA)
where:
Base-Base interactions energy: -132.129
where: short stacking energy: -61.753
Base-Backbone interact. energy: -0.199
local terms energy: -71.786362
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -221.608472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.608472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.608472 (E_RNA)
where:
Base-Base interactions energy: -136.334
where: short stacking energy: -74.638
Base-Backbone interact. energy: -0.007
local terms energy: -85.267377
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -198.850646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.850646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.850646 (E_RNA)
where:
Base-Base interactions energy: -130.930
where: short stacking energy: -66.839
Base-Backbone interact. energy: -0.002
local terms energy: -67.918449
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -7.366
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: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -198.862681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.862681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.862681 (E_RNA)
where:
Base-Base interactions energy: -125.349
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.095
local terms energy: -73.418688
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -18.078
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: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -107.763580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.763580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.763580 (E_RNA)
where:
Base-Base interactions energy: -43.244
where: short stacking energy: -43.244
Base-Backbone interact. energy: -0.313
local terms energy: -64.207226
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -100.425947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.425947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.425947 (E_RNA)
where:
Base-Base interactions energy: -48.836
where: short stacking energy: -27.649
Base-Backbone interact. energy: -0.214
local terms energy: -51.376478
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -86.625481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.625481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.625481 (E_RNA)
where:
Base-Base interactions energy: -29.304
where: short stacking energy: -29.304
Base-Backbone interact. energy: 0.112
local terms energy: -57.433846
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -8.809
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: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -83.241636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241636 (E_RNA)
where:
Base-Base interactions energy: -26.282
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.108
local terms energy: -56.851835
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -3.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -214.621813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.621813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.621813 (E_RNA)
where:
Base-Base interactions energy: -135.195
where: short stacking energy: -75.318
Base-Backbone interact. energy: -0.120
local terms energy: -79.307460
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -14.399
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: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -216.983908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.983908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.983908 (E_RNA)
where:
Base-Base interactions energy: -133.552
where: short stacking energy: -73.183
Base-Backbone interact. energy: -0.022
local terms energy: -83.409328
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.541
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: 3, replica: 5
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -212.390887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.390887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.390887 (E_RNA)
where:
Base-Base interactions energy: -141.413
where: short stacking energy: -74.980
Base-Backbone interact. energy: -0.007
local terms energy: -70.970624
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -8.797
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: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -214.561986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.561986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.561986 (E_RNA)
where:
Base-Base interactions energy: -139.535
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.099
local terms energy: -74.927672
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -9.212
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: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -202.861724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.861724 (E_RNA)
where:
Base-Base interactions energy: -132.914
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.009
local terms energy: -69.938616
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -7.231
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: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -183.406414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.406414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.406414 (E_RNA)
where:
Base-Base interactions energy: -115.564
where: short stacking energy: -60.394
Base-Backbone interact. energy: -0.110
local terms energy: -67.732275
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -109.013306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.013306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.013306 (E_RNA)
where:
Base-Base interactions energy: -57.806
where: short stacking energy: -22.614
Base-Backbone interact. energy: -0.143
local terms energy: -51.064164
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -7.243
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: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -91.933569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.933569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.933569 (E_RNA)
where:
Base-Base interactions energy: -39.391
where: short stacking energy: -39.391
Base-Backbone interact. energy: -0.045
local terms energy: -52.496984
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -4.388
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: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -86.997776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.997776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.997776 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -23.079
Base-Backbone interact. energy: -0.258
local terms energy: -50.742031
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -72.951903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.951903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.951903 (E_RNA)
where:
Base-Base interactions energy: -14.154
where: short stacking energy: -11.730
Base-Backbone interact. energy: -0.309
local terms energy: -58.488220
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -6.732
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -5.955
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: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -212.107835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.107835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.107835 (E_RNA)
where:
Base-Base interactions energy: -140.952
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.006
local terms energy: -71.149675
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -12.487
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: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -214.801707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.801707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801707 (E_RNA)
where:
Base-Base interactions energy: -134.181
where: short stacking energy: -65.241
Base-Backbone interact. energy: -0.231
local terms energy: -80.389108
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -10.998
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: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -209.290629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.290629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.290629 (E_RNA)
where:
Base-Base interactions energy: -127.430
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.226
local terms energy: -81.634099
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -12.713
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: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -207.174861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.174861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.174861 (E_RNA)
where:
Base-Base interactions energy: -129.125
where: short stacking energy: -63.423
Base-Backbone interact. energy: -0.164
local terms energy: -77.885731
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.901
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: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -219.250222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.250222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.250222 (E_RNA)
where:
Base-Base interactions energy: -133.721
where: short stacking energy: -72.187
Base-Backbone interact. energy: -0.018
local terms energy: -85.510923
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -182.906210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.906210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.906210 (E_RNA)
where:
Base-Base interactions energy: -113.376
where: short stacking energy: -50.438
Base-Backbone interact. energy: -0.461
local terms energy: -69.069212
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -94.804522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.804522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.804522 (E_RNA)
where:
Base-Base interactions energy: -32.821
where: short stacking energy: -24.657
Base-Backbone interact. energy: -0.276
local terms energy: -61.706857
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -100.704409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.704409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.704409 (E_RNA)
where:
Base-Base interactions energy: -36.476
where: short stacking energy: -36.476
Base-Backbone interact. energy: -0.008
local terms energy: -64.220320
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -99.112064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.112064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.112064 (E_RNA)
where:
Base-Base interactions energy: -44.429
where: short stacking energy: -39.817
Base-Backbone interact. energy: 1.758
local terms energy: -56.441506
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -9.359
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: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -79.403375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.403375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.403375 (E_RNA)
where:
Base-Base interactions energy: -30.587
where: short stacking energy: -29.479
Base-Backbone interact. energy: -0.006
local terms energy: -48.809451
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -225.947041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.947041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.947041 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -73.645
Base-Backbone interact. energy: -0.135
local terms energy: -83.639969
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -23.436
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: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -218.096841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.096841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.096841 (E_RNA)
where:
Base-Base interactions energy: -131.100
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.137
local terms energy: -86.859578
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -217.843282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.843282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843282 (E_RNA)
where:
Base-Base interactions energy: -136.162
where: short stacking energy: -67.852
Base-Backbone interact. energy: -0.069
local terms energy: -81.612716
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -19.476
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: 7
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -210.391468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.391468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.391468 (E_RNA)
where:
Base-Base interactions energy: -133.165
where: short stacking energy: -72.045
Base-Backbone interact. energy: -0.001
local terms energy: -77.225319
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -198.170497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.170497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.170497 (E_RNA)
where:
Base-Base interactions energy: -122.039
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.002
local terms energy: -76.129532
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -9.940
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: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -188.753590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.753590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.753590 (E_RNA)
where:
Base-Base interactions energy: -122.059
where: short stacking energy: -68.898
Base-Backbone interact. energy: 1.130
local terms energy: -67.824980
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -106.117699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.117699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.117699 (E_RNA)
where:
Base-Base interactions energy: -44.823
where: short stacking energy: -43.662
Base-Backbone interact. energy: -0.274
local terms energy: -61.020373
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -7.714
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: 8, replica: 2
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -98.546773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.546773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.546773 (E_RNA)
where:
Base-Base interactions energy: -45.254
where: short stacking energy: -27.130
Base-Backbone interact. energy: 0.805
local terms energy: -54.098149
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -1.689
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: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -94.302258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.302258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.302258 (E_RNA)
where:
Base-Base interactions energy: -42.244
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.184
local terms energy: -51.874177
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -6.150
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: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -77.179157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.179157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.179157 (E_RNA)
where:
Base-Base interactions energy: -23.021
where: short stacking energy: -23.021
Base-Backbone interact. energy: -0.215
local terms energy: -53.943167
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -9.686
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: 312
Temperature: 0.900000
Total energy: -207.456520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.456520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.456520 (E_RNA)
where:
Base-Base interactions energy: -131.916
where: short stacking energy: -65.226
Base-Backbone interact. energy: -0.503
local terms energy: -75.037966
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -221.755467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.755467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.755467 (E_RNA)
where:
Base-Base interactions energy: -138.675
where: short stacking energy: -73.218
Base-Backbone interact. energy: -0.244
local terms energy: -82.836003
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -23.291
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: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -219.839111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.839111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.839111 (E_RNA)
where:
Base-Base interactions energy: -140.802
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.040
local terms energy: -78.997613
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -216.042589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.042589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.042589 (E_RNA)
where:
Base-Base interactions energy: -137.144
where: short stacking energy: -78.915
Base-Backbone interact. energy: 1.622
local terms energy: -80.520243
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -12.709
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: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -182.251131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.251131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.251131 (E_RNA)
where:
Base-Base interactions energy: -118.205
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.079
local terms energy: -63.967188
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -191.255370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.255370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.255370 (E_RNA)
where:
Base-Base interactions energy: -122.367
where: short stacking energy: -54.882
Base-Backbone interact. energy: -0.744
local terms energy: -68.143882
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -103.779058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.779058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.779058 (E_RNA)
where:
Base-Base interactions energy: -48.658
where: short stacking energy: -20.426
Base-Backbone interact. energy: -0.288
local terms energy: -54.832286
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -100.905142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.905142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.905142 (E_RNA)
where:
Base-Base interactions energy: -43.318
where: short stacking energy: -43.318
Base-Backbone interact. energy: -0.651
local terms energy: -56.936393
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -13.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -96.407533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.407533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.407533 (E_RNA)
where:
Base-Base interactions energy: -35.006
where: short stacking energy: -34.410
Base-Backbone interact. energy: -0.022
local terms energy: -61.379725
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -88.080461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.080461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.080461 (E_RNA)
where:
Base-Base interactions energy: -31.569
where: short stacking energy: -31.569
Base-Backbone interact. energy: -1.056
local terms energy: -55.455714
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -212.888449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.888449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.888449 (E_RNA)
where:
Base-Base interactions energy: -136.899
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.016
local terms energy: -75.973075
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -226.406315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.406315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.406315 (E_RNA)
where:
Base-Base interactions energy: -142.333
where: short stacking energy: -78.848
Base-Backbone interact. energy: -0.026
local terms energy: -84.047449
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -21.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -222.440482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440482 (E_RNA)
where:
Base-Base interactions energy: -142.052
where: short stacking energy: -69.464
Base-Backbone interact. energy: -0.003
local terms energy: -80.384882
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -15.121
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -216.190158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.190158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.190158 (E_RNA)
where:
Base-Base interactions energy: -139.769
where: short stacking energy: -69.407
Base-Backbone interact. energy: -0.037
local terms energy: -76.384129
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -12.949
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: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -182.313821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.313821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.313821 (E_RNA)
where:
Base-Base interactions energy: -115.469
where: short stacking energy: -60.216
Base-Backbone interact. energy: -0.122
local terms energy: -66.723509
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -16.587
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: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -157.214982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.214982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.214982 (E_RNA)
where:
Base-Base interactions energy: -90.477
where: short stacking energy: -51.472
Base-Backbone interact. energy: -0.087
local terms energy: -66.650270
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -11.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -109.807468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.807468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.807468 (E_RNA)
where:
Base-Base interactions energy: -47.706
where: short stacking energy: -42.099
Base-Backbone interact. energy: -0.146
local terms energy: -61.954729
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -93.592780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.592780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.592780 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -32.923
Base-Backbone interact. energy: -0.290
local terms energy: -51.382928
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -85.131388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.131388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.131388 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -32.989
Base-Backbone interact. energy: -0.208
local terms energy: -51.934552
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -100.921732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.921732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.921732 (E_RNA)
where:
Base-Base interactions energy: -46.440
where: short stacking energy: -43.639
Base-Backbone interact. energy: -0.689
local terms energy: -53.792340
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -11.188
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: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -227.334694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.334694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.334694 (E_RNA)
where:
Base-Base interactions energy: -150.632
where: short stacking energy: -84.330
Base-Backbone interact. energy: -0.003
local terms energy: -76.699830
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -22.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -222.890391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.890391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.890391 (E_RNA)
where:
Base-Base interactions energy: -141.424
where: short stacking energy: -78.840
Base-Backbone interact. energy: -0.217
local terms energy: -81.249474
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -18.268
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -223.300552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.300552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.300552 (E_RNA)
where:
Base-Base interactions energy: -140.680
where: short stacking energy: -79.761
Base-Backbone interact. energy: -0.045
local terms energy: -82.574885
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -201.583298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.583298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.583298 (E_RNA)
where:
Base-Base interactions energy: -123.413
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.526
local terms energy: -77.644223
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -12.264
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: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -197.621648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.621648 (E_RNA)
where:
Base-Base interactions energy: -125.197
where: short stacking energy: -69.181
Base-Backbone interact. energy: -0.509
local terms energy: -71.916224
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -6.990
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: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -183.139353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.139353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.139353 (E_RNA)
where:
Base-Base interactions energy: -116.505
where: short stacking energy: -56.592
Base-Backbone interact. energy: -0.240
local terms energy: -66.394810
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -15.719
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: 7, replica: 4
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -92.401488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401488 (E_RNA)
where:
Base-Base interactions energy: -38.364
where: short stacking energy: -38.364
Base-Backbone interact. energy: 0.913
local terms energy: -54.951263
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -87.226484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.226484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.226484 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.071
local terms energy: -45.945320
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -92.785072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.785072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.785072 (E_RNA)
where:
Base-Base interactions energy: -32.031
where: short stacking energy: -32.031
Base-Backbone interact. energy: -0.380
local terms energy: -60.374352
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -87.948061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.948061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.948061 (E_RNA)
where:
Base-Base interactions energy: -37.341
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.210
local terms energy: -50.396891
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -7.609
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: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -231.083858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.083858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.083858 (E_RNA)
where:
Base-Base interactions energy: -145.927
where: short stacking energy: -85.846
Base-Backbone interact. energy: -0.001
local terms energy: -85.156466
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -24.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -220.437739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.437739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.437739 (E_RNA)
where:
Base-Base interactions energy: -143.034
where: short stacking energy: -83.078
Base-Backbone interact. energy: -0.000
local terms energy: -77.403566
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -22.148
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: 315
Temperature: 1.000000
Total energy: -218.017723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.017723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.017723 (E_RNA)
where:
Base-Base interactions energy: -140.056
where: short stacking energy: -77.877
Base-Backbone interact. energy: -0.002
local terms energy: -77.959539
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -187.187924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.187924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.187924 (E_RNA)
where:
Base-Base interactions energy: -115.282
where: short stacking energy: -49.473
Base-Backbone interact. energy: -0.696
local terms energy: -71.210087
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -205.652029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.652029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.652029 (E_RNA)
where:
Base-Base interactions energy: -134.590
where: short stacking energy: -77.222
Base-Backbone interact. energy: -0.368
local terms energy: -70.693585
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -8.246
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: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -170.189809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.189809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.189809 (E_RNA)
where:
Base-Base interactions energy: -104.722
where: short stacking energy: -53.573
Base-Backbone interact. energy: -0.119
local terms energy: -65.348194
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -106.203475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.203475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.203475 (E_RNA)
where:
Base-Base interactions energy: -39.553
where: short stacking energy: -39.603
Base-Backbone interact. energy: -0.052
local terms energy: -66.598685
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -100.417709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.417709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.417709 (E_RNA)
where:
Base-Base interactions energy: -42.973
where: short stacking energy: -41.324
Base-Backbone interact. energy: -0.377
local terms energy: -57.068049
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -14.848
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: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -79.636423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.636423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.636423 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -28.471
Base-Backbone interact. energy: 1.019
local terms energy: -52.129075
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -81.816772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.816772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.816772 (E_RNA)
where:
Base-Base interactions energy: -27.619
where: short stacking energy: -27.619
Base-Backbone interact. energy: -0.006
local terms energy: -54.192013
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.314
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: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -227.224121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.224121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.224121 (E_RNA)
where:
Base-Base interactions energy: -144.490
where: short stacking energy: -81.911
Base-Backbone interact. energy: -0.044
local terms energy: -82.690556
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -23.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -224.953308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.953308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.953308 (E_RNA)
where:
Base-Base interactions energy: -143.850
where: short stacking energy: -83.613
Base-Backbone interact. energy: 1.281
local terms energy: -82.385159
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -23.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -215.577809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.577809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.577809 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -74.620
Base-Backbone interact. energy: -0.018
local terms energy: -79.024609
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -11.195
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: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -190.021290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.021290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.021290 (E_RNA)
where:
Base-Base interactions energy: -116.083
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.107
local terms energy: -73.831250
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -192.098733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.098733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.098733 (E_RNA)
where:
Base-Base interactions energy: -120.190
where: short stacking energy: -71.360
Base-Backbone interact. energy: -0.244
local terms energy: -71.664562
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -11.140
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: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -144.073238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.073238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.073238 (E_RNA)
where:
Base-Base interactions energy: -89.561
where: short stacking energy: -47.662
Base-Backbone interact. energy: 0.330
local terms energy: -54.841573
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -101.341493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.341493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.341493 (E_RNA)
where:
Base-Base interactions energy: -45.977
where: short stacking energy: -38.951
Base-Backbone interact. energy: 0.936
local terms energy: -56.299789
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -11.555
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: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -90.196275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.196275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.196275 (E_RNA)
where:
Base-Base interactions energy: -35.480
where: short stacking energy: -31.456
Base-Backbone interact. energy: -0.101
local terms energy: -54.615765
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -8.345
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -3.124
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: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -85.862032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.862032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.862032 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -27.550
Base-Backbone interact. energy: -0.203
local terms energy: -53.293638
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -0.568
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: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -88.502442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502442 (E_RNA)
where:
Base-Base interactions energy: -40.867
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.027
local terms energy: -47.607836
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -233.585713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.585713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.585713 (E_RNA)
where:
Base-Base interactions energy: -151.396
where: short stacking energy: -82.900
Base-Backbone interact. energy: -0.007
local terms energy: -82.182780
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -228.505744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.505744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.505744 (E_RNA)
where:
Base-Base interactions energy: -142.180
where: short stacking energy: -80.041
Base-Backbone interact. energy: -0.003
local terms energy: -86.322267
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -206.953238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.953238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.953238 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -69.075
Base-Backbone interact. energy: -0.012
local terms energy: -82.802153
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -20.888
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: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -192.221149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.221149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.221149 (E_RNA)
where:
Base-Base interactions energy: -112.314
where: short stacking energy: -58.845
Base-Backbone interact. energy: -0.173
local terms energy: -79.734286
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -11.735
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: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -190.853611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.853611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.853611 (E_RNA)
where:
Base-Base interactions energy: -119.766
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.078
local terms energy: -71.010001
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -14.543
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: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -106.433191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.433191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.433191 (E_RNA)
where:
Base-Base interactions energy: -46.912
where: short stacking energy: -46.912
Base-Backbone interact. energy: -0.050
local terms energy: -59.471200
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -10.961
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: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -137.130351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.130351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.130351 (E_RNA)
where:
Base-Base interactions energy: -79.068
where: short stacking energy: -43.205
Base-Backbone interact. energy: -0.014
local terms energy: -58.048489
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -11.820
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: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -101.955290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.955290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.955290 (E_RNA)
where:
Base-Base interactions energy: -51.659
where: short stacking energy: -37.002
Base-Backbone interact. energy: -0.227
local terms energy: -50.069001
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -99.444725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.444725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.444725 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -28.569
Base-Backbone interact. energy: -0.038
local terms energy: -56.234740
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -81.598928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.598928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.598928 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -39.755
Base-Backbone interact. energy: -0.223
local terms energy: -42.047270
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -4.208
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -223.879222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.879222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.879222 (E_RNA)
where:
Base-Base interactions energy: -140.539
where: short stacking energy: -67.732
Base-Backbone interact. energy: -0.095
local terms energy: -83.245796
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -229.949694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.949694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.949694 (E_RNA)
where:
Base-Base interactions energy: -144.489
where: short stacking energy: -80.287
Base-Backbone interact. energy: -0.022
local terms energy: -85.438288
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -23.009
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: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -209.671033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.671033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.671033 (E_RNA)
where:
Base-Base interactions energy: -126.907
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.306
local terms energy: -82.458647
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -207.746530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.746530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.746530 (E_RNA)
where:
Base-Base interactions energy: -133.784
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.102
local terms energy: -73.860200
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -13.349
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: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -191.067063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.067063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.067063 (E_RNA)
where:
Base-Base interactions energy: -123.881
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.795
local terms energy: -66.391080
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -110.031952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.031952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.031952 (E_RNA)
where:
Base-Base interactions energy: -51.841
where: short stacking energy: -41.982
Base-Backbone interact. energy: -0.095
local terms energy: -58.096769
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -137.371078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.371078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.371078 (E_RNA)
where:
Base-Base interactions energy: -71.941
where: short stacking energy: -40.577
Base-Backbone interact. energy: -0.162
local terms energy: -65.267847
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -95.144906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.144906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.144906 (E_RNA)
where:
Base-Base interactions energy: -38.647
where: short stacking energy: -38.647
Base-Backbone interact. energy: -0.279
local terms energy: -56.218820
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -89.125935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.125935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.125935 (E_RNA)
where:
Base-Base interactions energy: -37.912
where: short stacking energy: -30.209
Base-Backbone interact. energy: -0.164
local terms energy: -51.049217
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -83.553252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.553252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.553252 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -33.652
Base-Backbone interact. energy: -0.909
local terms energy: -48.992649
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -7.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -224.939724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.939724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.939724 (E_RNA)
where:
Base-Base interactions energy: -141.486
where: short stacking energy: -81.858
Base-Backbone interact. energy: 0.010
local terms energy: -83.464277
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -23.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -222.871720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.871720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.871720 (E_RNA)
where:
Base-Base interactions energy: -145.204
where: short stacking energy: -76.200
Base-Backbone interact. energy: 0.321
local terms energy: -77.988339
where:
bonds (distance) C4'-P energy: -9.174
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -11.212
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: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -212.306348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.306348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.306348 (E_RNA)
where:
Base-Base interactions energy: -134.317
where: short stacking energy: -70.230
Base-Backbone interact. energy: -0.137
local terms energy: -77.852496
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -20.679
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: 9
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -191.864666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.864666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.864666 (E_RNA)
where:
Base-Base interactions energy: -117.404
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.077
local terms energy: -74.384054
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -166.682718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.682718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.682718 (E_RNA)
where:
Base-Base interactions energy: -100.843
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.809
local terms energy: -65.031413
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -10.914
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: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -144.391137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.391137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.391137 (E_RNA)
where:
Base-Base interactions energy: -89.567
where: short stacking energy: -54.390
Base-Backbone interact. energy: -0.105
local terms energy: -54.719647
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -97.616239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.616239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.616239 (E_RNA)
where:
Base-Base interactions energy: -39.001
where: short stacking energy: -39.001
Base-Backbone interact. energy: -0.376
local terms energy: -58.239864
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -5.108
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -76.832510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.832510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.832510 (E_RNA)
where:
Base-Base interactions energy: -29.789
where: short stacking energy: -29.789
Base-Backbone interact. energy: -0.311
local terms energy: -46.732234
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -94.560248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.560248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.560248 (E_RNA)
where:
Base-Base interactions energy: -37.483
where: short stacking energy: -37.483
Base-Backbone interact. energy: 1.982
local terms energy: -59.059112
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -11.520
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: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -83.883336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.883336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.883336 (E_RNA)
where:
Base-Base interactions energy: -29.358
where: short stacking energy: -29.358
Base-Backbone interact. energy: 0.397
local terms energy: -54.922551
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -226.246740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.246740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.246740 (E_RNA)
where:
Base-Base interactions energy: -151.533
where: short stacking energy: -75.474
Base-Backbone interact. energy: -0.004
local terms energy: -74.709990
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -23.092
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -221.493834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.493834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.493834 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -78.649
Base-Backbone interact. energy: -0.005
local terms energy: -81.796510
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.606
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: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -224.320311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.320311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.320311 (E_RNA)
where:
Base-Base interactions energy: -146.244
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.065
local terms energy: -78.012017
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.510
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: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -182.878517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.878517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.878517 (E_RNA)
where:
Base-Base interactions energy: -111.560
where: short stacking energy: -59.758
Base-Backbone interact. energy: 0.033
local terms energy: -71.351393
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -170.935108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.935108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.935108 (E_RNA)
where:
Base-Base interactions energy: -101.913
where: short stacking energy: -59.909
Base-Backbone interact. energy: -0.107
local terms energy: -68.915169
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -162.258979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.258979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.258979 (E_RNA)
where:
Base-Base interactions energy: -102.260
where: short stacking energy: -49.130
Base-Backbone interact. energy: -0.056
local terms energy: -59.942425
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -88.116895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.116895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.116895 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -33.063
Base-Backbone interact. energy: -0.066
local terms energy: -54.987890
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -102.044965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.044965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.044965 (E_RNA)
where:
Base-Base interactions energy: -52.208
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.031
local terms energy: -49.805583
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -4.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -100.977834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.977834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.977834 (E_RNA)
where:
Base-Base interactions energy: -45.570
where: short stacking energy: -45.570
Base-Backbone interact. energy: -0.099
local terms energy: -55.308759
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -7.939
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -76.498986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.498986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.498986 (E_RNA)
where:
Base-Base interactions energy: -25.357
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.088
local terms energy: -51.054464
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -217.847857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.847857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.847857 (E_RNA)
where:
Base-Base interactions energy: -142.835
where: short stacking energy: -68.476
Base-Backbone interact. energy: 5.510
local terms energy: -80.522996
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -9.775
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: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -227.001963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.001963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.001963 (E_RNA)
where:
Base-Base interactions energy: -142.218
where: short stacking energy: -79.171
Base-Backbone interact. energy: -0.001
local terms energy: -84.782975
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -12.808
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: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -215.707492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.707492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.707492 (E_RNA)
where:
Base-Base interactions energy: -142.507
where: short stacking energy: -78.378
Base-Backbone interact. energy: -0.005
local terms energy: -73.195598
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -151.666894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.666894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.666894 (E_RNA)
where:
Base-Base interactions energy: -89.596
where: short stacking energy: -39.037
Base-Backbone interact. energy: -0.206
local terms energy: -61.864418
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -191.960031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.960031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.960031 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -57.722
Base-Backbone interact. energy: -0.152
local terms energy: -75.454603
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -191.939566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.939566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.939566 (E_RNA)
where:
Base-Base interactions energy: -121.959
where: short stacking energy: -55.569
Base-Backbone interact. energy: -0.264
local terms energy: -69.716547
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -88.952045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.952045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.952045 (E_RNA)
where:
Base-Base interactions energy: -35.297
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.116
local terms energy: -53.539350
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -3.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -91.054996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.054996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.054996 (E_RNA)
where:
Base-Base interactions energy: -44.178
where: short stacking energy: -41.504
Base-Backbone interact. energy: 0.166
local terms energy: -47.043019
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -6.565
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -96.741986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.741986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.741986 (E_RNA)
where:
Base-Base interactions energy: -41.304
where: short stacking energy: -41.304
Base-Backbone interact. energy: -0.145
local terms energy: -55.293017
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -89.805563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.805563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.805563 (E_RNA)
where:
Base-Base interactions energy: -36.762
where: short stacking energy: -36.762
Base-Backbone interact. energy: -0.065
local terms energy: -52.978550
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -238.036764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.036764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.036764 (E_RNA)
where:
Base-Base interactions energy: -152.382
where: short stacking energy: -85.157
Base-Backbone interact. energy: 1.166
local terms energy: -86.820723
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -23.503
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: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -212.955499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.955499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.955499 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -62.641
Base-Backbone interact. energy: 0.450
local terms energy: -76.810410
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -213.766995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.766995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.766995 (E_RNA)
where:
Base-Base interactions energy: -133.700
where: short stacking energy: -70.951
Base-Backbone interact. energy: -0.147
local terms energy: -79.920219
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -189.136533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.136533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.136533 (E_RNA)
where:
Base-Base interactions energy: -113.448
where: short stacking energy: -59.876
Base-Backbone interact. energy: -0.011
local terms energy: -75.676858
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -185.994097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.994097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.994097 (E_RNA)
where:
Base-Base interactions energy: -112.520
where: short stacking energy: -52.760
Base-Backbone interact. energy: -0.845
local terms energy: -72.628810
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -179.230825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.230825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.230825 (E_RNA)
where:
Base-Base interactions energy: -116.111
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.132
local terms energy: -62.987827
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -13.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -99.588007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.588007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.588007 (E_RNA)
where:
Base-Base interactions energy: -36.674
where: short stacking energy: -24.313
Base-Backbone interact. energy: 0.561
local terms energy: -63.474792
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -104.083137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.083137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.083137 (E_RNA)
where:
Base-Base interactions energy: -40.377
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.003
local terms energy: -63.702834
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -9.578
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: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -96.086642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.086642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.086642 (E_RNA)
where:
Base-Base interactions energy: -37.420
where: short stacking energy: -37.420
Base-Backbone interact. energy: -0.276
local terms energy: -58.390346
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -85.870440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.870440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.870440 (E_RNA)
where:
Base-Base interactions energy: -45.317
where: short stacking energy: -45.317
Base-Backbone interact. energy: 5.392
local terms energy: -45.945411
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -7.030
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: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -234.555826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.555826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.555826 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -78.093
Base-Backbone interact. energy: -0.090
local terms energy: -88.352668
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -24.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -225.416834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.416834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.416834 (E_RNA)
where:
Base-Base interactions energy: -144.580
where: short stacking energy: -79.248
Base-Backbone interact. energy: -0.001
local terms energy: -80.835568
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -12.068
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: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -215.003221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.003221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.003221 (E_RNA)
where:
Base-Base interactions energy: -130.888
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.001
local terms energy: -84.115018
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -23.965
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: 323
Temperature: 1.050000
Total energy: -212.697803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.697803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.697803 (E_RNA)
where:
Base-Base interactions energy: -128.617
where: short stacking energy: -68.825
Base-Backbone interact. energy: 0.093
local terms energy: -84.174241
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -197.619834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.619834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.619834 (E_RNA)
where:
Base-Base interactions energy: -129.927
where: short stacking energy: -64.750
Base-Backbone interact. energy: -0.051
local terms energy: -67.641889
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -197.079681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.079681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.079681 (E_RNA)
where:
Base-Base interactions energy: -127.206
where: short stacking energy: -77.982
Base-Backbone interact. energy: -0.016
local terms energy: -69.857209
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -97.909486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.909486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.909486 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -40.310
Base-Backbone interact. energy: -0.086
local terms energy: -57.390735
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -6.107
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: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -95.458336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.458336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.458336 (E_RNA)
where:
Base-Base interactions energy: -49.723
where: short stacking energy: -24.554
Base-Backbone interact. energy: -0.311
local terms energy: -45.424393
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -84.175264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.175264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.175264 (E_RNA)
where:
Base-Base interactions energy: -38.347
where: short stacking energy: -30.663
Base-Backbone interact. energy: 0.496
local terms energy: -46.323598
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -1.888
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: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -83.714790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.714790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.714790 (E_RNA)
where:
Base-Base interactions energy: -26.649
where: short stacking energy: -23.732
Base-Backbone interact. energy: -0.036
local terms energy: -57.029873
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -230.430202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.430202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.430202 (E_RNA)
where:
Base-Base interactions energy: -144.709
where: short stacking energy: -78.888
Base-Backbone interact. energy: 0.095
local terms energy: -85.816036
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -229.746335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.746335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.746335 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -79.090
Base-Backbone interact. energy: -0.002
local terms energy: -85.148915
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -218.908791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.908791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.908791 (E_RNA)
where:
Base-Base interactions energy: -137.015
where: short stacking energy: -81.433
Base-Backbone interact. energy: -0.005
local terms energy: -81.888552
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -209.245026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.245026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.245026 (E_RNA)
where:
Base-Base interactions energy: -129.383
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.004
local terms energy: -79.858099
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -184.295945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.295945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.295945 (E_RNA)
where:
Base-Base interactions energy: -118.046
where: short stacking energy: -50.749
Base-Backbone interact. energy: -0.290
local terms energy: -65.960100
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -14.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -196.331938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.331938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.331938 (E_RNA)
where:
Base-Base interactions energy: -120.940
where: short stacking energy: -68.047
Base-Backbone interact. energy: -0.129
local terms energy: -75.262746
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -102.452376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.452376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.452376 (E_RNA)
where:
Base-Base interactions energy: -41.490
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.068
local terms energy: -60.894109
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -92.358539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358539 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -33.620
Base-Backbone interact. energy: -0.178
local terms energy: -55.314232
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -7.766
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: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -81.628098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.628098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.628098 (E_RNA)
where:
Base-Base interactions energy: -35.514
where: short stacking energy: -26.922
Base-Backbone interact. energy: 0.969
local terms energy: -47.083262
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -2.579
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: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -74.365643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.365643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.365643 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -16.449
Base-Backbone interact. energy: -0.150
local terms energy: -47.191895
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -223.665741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.665741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.665741 (E_RNA)
where:
Base-Base interactions energy: -138.109
where: short stacking energy: -75.409
Base-Backbone interact. energy: 1.134
local terms energy: -86.690003
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -24.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -223.182521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.182521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.182521 (E_RNA)
where:
Base-Base interactions energy: -135.495
where: short stacking energy: -71.790
Base-Backbone interact. energy: -0.019
local terms energy: -87.667823
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -21.022
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: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -212.739967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.739967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.739967 (E_RNA)
where:
Base-Base interactions energy: -134.831
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.538
local terms energy: -77.371290
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -215.980031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.980031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.980031 (E_RNA)
where:
Base-Base interactions energy: -133.409
where: short stacking energy: -74.419
Base-Backbone interact. energy: -0.004
local terms energy: -82.567620
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -11.520
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: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -186.539834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.539834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.539834 (E_RNA)
where:
Base-Base interactions energy: -124.270
where: short stacking energy: -65.481
Base-Backbone interact. energy: -0.142
local terms energy: -62.128068
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -187.137069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.137069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.137069 (E_RNA)
where:
Base-Base interactions energy: -120.042
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.009
local terms energy: -67.086012
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -11.810
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: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -90.361273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361273 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -30.032
Base-Backbone interact. energy: -1.266
local terms energy: -49.434981
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -1.677
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: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -85.634255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.634255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.634255 (E_RNA)
where:
Base-Base interactions energy: -34.275
where: short stacking energy: -29.393
Base-Backbone interact. energy: -0.153
local terms energy: -51.206379
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -1.379
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: 2
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -84.640293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.640293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.640293 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -24.517
Base-Backbone interact. energy: 1.107
local terms energy: -53.845591
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -9.039
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: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -72.248518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.248518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.248518 (E_RNA)
where:
Base-Base interactions energy: -29.416
where: short stacking energy: -26.686
Base-Backbone interact. energy: 0.660
local terms energy: -43.492447
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -7.190
flat angles P-C4'-P energy: -3.209
tors. eta vs tors. theta energy: 2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -232.575275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.575275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.575275 (E_RNA)
where:
Base-Base interactions energy: -146.460
where: short stacking energy: -77.588
Base-Backbone interact. energy: -0.043
local terms energy: -86.072643
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -24.265
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: 10
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -218.413118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.413118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.413118 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -77.789
Base-Backbone interact. energy: -0.006
local terms energy: -80.648191
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -24.810
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: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -214.372875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.372875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.372875 (E_RNA)
where:
Base-Base interactions energy: -133.506
where: short stacking energy: -75.158
Base-Backbone interact. energy: -0.001
local terms energy: -80.865450
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -212.099816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.099816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.099816 (E_RNA)
where:
Base-Base interactions energy: -132.599
where: short stacking energy: -66.958
Base-Backbone interact. energy: -0.240
local terms energy: -79.261253
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -185.860878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.860878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.860878 (E_RNA)
where:
Base-Base interactions energy: -118.086
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.293
local terms energy: -67.482232
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -186.976988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.976988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.976988 (E_RNA)
where:
Base-Base interactions energy: -115.634
where: short stacking energy: -54.446
Base-Backbone interact. energy: -0.299
local terms energy: -71.043462
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -94.102701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.102701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.102701 (E_RNA)
where:
Base-Base interactions energy: -43.427
where: short stacking energy: -36.242
Base-Backbone interact. energy: -0.208
local terms energy: -50.467941
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -4.585
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -99.823339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.823339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.823339 (E_RNA)
where:
Base-Base interactions energy: -41.287
where: short stacking energy: -36.984
Base-Backbone interact. energy: -0.200
local terms energy: -58.336285
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -95.389605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.389605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.389605 (E_RNA)
where:
Base-Base interactions energy: -33.402
where: short stacking energy: -33.116
Base-Backbone interact. energy: 0.150
local terms energy: -62.137060
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -82.709932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.709932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.709932 (E_RNA)
where:
Base-Base interactions energy: -27.324
where: short stacking energy: -23.771
Base-Backbone interact. energy: -0.081
local terms energy: -55.304854
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -232.433470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.433470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.433470 (E_RNA)
where:
Base-Base interactions energy: -148.203
where: short stacking energy: -77.238
Base-Backbone interact. energy: -0.002
local terms energy: -84.228690
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -221.181218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.181218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.181218 (E_RNA)
where:
Base-Base interactions energy: -143.376
where: short stacking energy: -72.007
Base-Backbone interact. energy: -0.004
local terms energy: -77.800907
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -217.764481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.764481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.764481 (E_RNA)
where:
Base-Base interactions energy: -144.013
where: short stacking energy: -83.390
Base-Backbone interact. energy: -0.041
local terms energy: -73.711259
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -9.854
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: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -213.099323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.099323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.099323 (E_RNA)
where:
Base-Base interactions energy: -133.574
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.112
local terms energy: -79.413344
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -19.522
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: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -186.616961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.616961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.616961 (E_RNA)
where:
Base-Base interactions energy: -118.724
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.002
local terms energy: -67.891447
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -192.059557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.059557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.059557 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -70.842
Base-Backbone interact. energy: -0.640
local terms energy: -66.820323
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -18.786
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: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -110.446942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.446942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.446942 (E_RNA)
where:
Base-Base interactions energy: -51.838
where: short stacking energy: -40.208
Base-Backbone interact. energy: -0.019
local terms energy: -58.589564
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -106.288631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.288631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.288631 (E_RNA)
where:
Base-Base interactions energy: -42.835
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.044
local terms energy: -63.409892
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -90.919185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.919185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.919185 (E_RNA)
where:
Base-Base interactions energy: -37.383
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.481
local terms energy: -53.054916
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -84.392392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.392392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.392392 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -26.185
Base-Backbone interact. energy: -0.118
local terms energy: -53.113216
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -6.546
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -224.836274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.836274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.836274 (E_RNA)
where:
Base-Base interactions energy: -145.125
where: short stacking energy: -76.660
Base-Backbone interact. energy: 0.905
local terms energy: -80.616175
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -226.410055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.410055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.410055 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -83.729
Base-Backbone interact. energy: -0.069
local terms energy: -80.162020
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -230.831282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.831282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.831282 (E_RNA)
where:
Base-Base interactions energy: -144.168
where: short stacking energy: -82.726
Base-Backbone interact. energy: -0.043
local terms energy: -86.620967
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -23.167
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: 328
Temperature: 1.050000
Total energy: -196.004098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.004098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.004098 (E_RNA)
where:
Base-Base interactions energy: -121.943
where: short stacking energy: -67.522
Base-Backbone interact. energy: -0.097
local terms energy: -73.963732
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -208.350997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.350997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.350997 (E_RNA)
where:
Base-Base interactions energy: -131.888
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.005
local terms energy: -76.458860
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.200
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: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -172.041243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.041243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.041243 (E_RNA)
where:
Base-Base interactions energy: -106.349
where: short stacking energy: -50.415
Base-Backbone interact. energy: -1.226
local terms energy: -64.466198
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -11.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -90.281167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.281167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.281167 (E_RNA)
where:
Base-Base interactions energy: -42.097
where: short stacking energy: -31.265
Base-Backbone interact. energy: 0.172
local terms energy: -48.356434
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -5.415
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -77.968106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.968106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.968106 (E_RNA)
where:
Base-Base interactions energy: -23.155
where: short stacking energy: -21.524
Base-Backbone interact. energy: -0.166
local terms energy: -54.646772
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -95.598256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.598256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.598256 (E_RNA)
where:
Base-Base interactions energy: -40.041
where: short stacking energy: -27.101
Base-Backbone interact. energy: -0.453
local terms energy: -55.103905
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -81.356649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.356649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.356649 (E_RNA)
where:
Base-Base interactions energy: -39.418
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.086
local terms energy: -41.853070
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -5.921
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: 1, replica: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -229.754110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.754110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.754110 (E_RNA)
where:
Base-Base interactions energy: -143.375
where: short stacking energy: -79.388
Base-Backbone interact. energy: -0.000
local terms energy: -86.378749
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -25.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -231.447129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.447129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.447129 (E_RNA)
where:
Base-Base interactions energy: -149.094
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.009
local terms energy: -82.343937
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -9.753
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: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -219.061121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.061121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.061121 (E_RNA)
where:
Base-Base interactions energy: -140.666
where: short stacking energy: -70.237
Base-Backbone interact. energy: 0.194
local terms energy: -78.588996
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -12.245
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: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -194.751969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.751969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.751969 (E_RNA)
where:
Base-Base interactions energy: -115.487
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.124
local terms energy: -79.140115
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -189.940512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.940512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.940512 (E_RNA)
where:
Base-Base interactions energy: -121.310
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.001
local terms energy: -68.629408
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -197.359380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.359380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.359380 (E_RNA)
where:
Base-Base interactions energy: -123.479
where: short stacking energy: -61.242
Base-Backbone interact. energy: 1.765
local terms energy: -75.645957
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -93.118783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.118783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.118783 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -28.923
Base-Backbone interact. energy: -0.055
local terms energy: -61.460876
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -108.028425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.028425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.028425 (E_RNA)
where:
Base-Base interactions energy: -44.722
where: short stacking energy: -44.722
Base-Backbone interact. energy: -0.133
local terms energy: -63.173708
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -91.310829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.310829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.310829 (E_RNA)
where:
Base-Base interactions energy: -30.669
where: short stacking energy: -28.990
Base-Backbone interact. energy: -0.098
local terms energy: -60.543850
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -84.786830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786830 (E_RNA)
where:
Base-Base interactions energy: -23.167
where: short stacking energy: -23.167
Base-Backbone interact. energy: -0.212
local terms energy: -61.407833
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -221.425975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.425975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.425975 (E_RNA)
where:
Base-Base interactions energy: -134.651
where: short stacking energy: -72.432
Base-Backbone interact. energy: -0.003
local terms energy: -86.771697
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -219.488072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.488072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.488072 (E_RNA)
where:
Base-Base interactions energy: -139.247
where: short stacking energy: -78.612
Base-Backbone interact. energy: -0.028
local terms energy: -80.212887
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -13.931
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: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -211.269368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.269368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.269368 (E_RNA)
where:
Base-Base interactions energy: -133.980
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.013
local terms energy: -77.275568
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -218.006267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.006267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.006267 (E_RNA)
where:
Base-Base interactions energy: -143.708
where: short stacking energy: -83.943
Base-Backbone interact. energy: -0.000
local terms energy: -74.298203
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -5.817
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: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -212.955977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.955977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.955977 (E_RNA)
where:
Base-Base interactions energy: -136.766
where: short stacking energy: -70.925
Base-Backbone interact. energy: -0.042
local terms energy: -76.147977
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -184.356232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.356232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.356232 (E_RNA)
where:
Base-Base interactions energy: -119.462
where: short stacking energy: -54.718
Base-Backbone interact. energy: -0.036
local terms energy: -64.858460
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -102.998449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.998449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.998449 (E_RNA)
where:
Base-Base interactions energy: -38.686
where: short stacking energy: -38.686
Base-Backbone interact. energy: -0.159
local terms energy: -64.153721
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -5.971
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: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -95.334701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.334701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.334701 (E_RNA)
where:
Base-Base interactions energy: -46.195
where: short stacking energy: -45.654
Base-Backbone interact. energy: -0.183
local terms energy: -48.956078
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -7.890
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -83.329190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.329190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.329190 (E_RNA)
where:
Base-Base interactions energy: -28.658
where: short stacking energy: -24.038
Base-Backbone interact. energy: -0.231
local terms energy: -54.439822
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -5.094
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -99.342014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.342014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.342014 (E_RNA)
where:
Base-Base interactions energy: -40.545
where: short stacking energy: -37.332
Base-Backbone interact. energy: -1.021
local terms energy: -57.776660
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -221.077865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.077865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.077865 (E_RNA)
where:
Base-Base interactions energy: -143.540
where: short stacking energy: -74.639
Base-Backbone interact. energy: -0.036
local terms energy: -77.501479
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -11.585
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: 2, replica: 9
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -211.655627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.655627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.655627 (E_RNA)
where:
Base-Base interactions energy: -136.930
where: short stacking energy: -68.517
Base-Backbone interact. energy: -0.241
local terms energy: -74.484187
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.466
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: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -205.232912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.232912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.232912 (E_RNA)
where:
Base-Base interactions energy: -133.774
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.073
local terms energy: -71.385918
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -19.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -207.889706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.889706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.889706 (E_RNA)
where:
Base-Base interactions energy: -127.279
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.013
local terms energy: -80.597737
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -208.240476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.240476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.240476 (E_RNA)
where:
Base-Base interactions energy: -124.756
where: short stacking energy: -71.614
Base-Backbone interact. energy: -0.045
local terms energy: -83.439474
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -176.711928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.711928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.711928 (E_RNA)
where:
Base-Base interactions energy: -119.231
where: short stacking energy: -57.849
Base-Backbone interact. energy: -0.137
local terms energy: -57.343524
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -89.832226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.832226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.832226 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.185
local terms energy: -54.878183
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.280
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -100.872721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.872721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.872721 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.220
local terms energy: -59.367414
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -78.314043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.314043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.314043 (E_RNA)
where:
Base-Base interactions energy: -26.109
where: short stacking energy: -18.644
Base-Backbone interact. energy: -0.132
local terms energy: -52.073026
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: 1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -77.699895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.699895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.699895 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -24.220
Base-Backbone interact. energy: 0.104
local terms energy: -49.160276
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -3.677
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -223.342603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.342603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.342603 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -77.894
Base-Backbone interact. energy: -0.042
local terms energy: -88.885150
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -23.033
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: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -213.210641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.210641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.210641 (E_RNA)
where:
Base-Base interactions energy: -132.951
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.387
local terms energy: -79.873274
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -207.334678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.334678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.334678 (E_RNA)
where:
Base-Base interactions energy: -126.633
where: short stacking energy: -76.664
Base-Backbone interact. energy: -0.008
local terms energy: -80.694347
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -207.566636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.566636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.566636 (E_RNA)
where:
Base-Base interactions energy: -127.278
where: short stacking energy: -66.776
Base-Backbone interact. energy: -0.413
local terms energy: -79.876048
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -21.386
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: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -200.676783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.676783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.676783 (E_RNA)
where:
Base-Base interactions energy: -132.374
where: short stacking energy: -66.038
Base-Backbone interact. energy: -0.125
local terms energy: -68.177992
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -172.992169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.992169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.992169 (E_RNA)
where:
Base-Base interactions energy: -112.725
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.054
local terms energy: -60.213321
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -91.128024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.128024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.128024 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -30.300
Base-Backbone interact. energy: -0.171
local terms energy: -60.656692
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -90.571202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.571202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.571202 (E_RNA)
where:
Base-Base interactions energy: -40.581
where: short stacking energy: -36.872
Base-Backbone interact. energy: -0.108
local terms energy: -49.882314
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -85.221291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.221291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.221291 (E_RNA)
where:
Base-Base interactions energy: -36.694
where: short stacking energy: -27.986
Base-Backbone interact. energy: 0.207
local terms energy: -48.734885
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -6.540
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: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -88.709977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.709977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.709977 (E_RNA)
where:
Base-Base interactions energy: -36.118
where: short stacking energy: -34.579
Base-Backbone interact. energy: -0.186
local terms energy: -52.405426
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -11.644
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: 9
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -225.185547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.185547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.185547 (E_RNA)
where:
Base-Base interactions energy: -142.901
where: short stacking energy: -76.466
Base-Backbone interact. energy: -0.050
local terms energy: -82.234589
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -18.326
flat angles P-C4'-P energy: -12.625
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: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -213.448636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.448636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.448636 (E_RNA)
where:
Base-Base interactions energy: -130.500
where: short stacking energy: -69.560
Base-Backbone interact. energy: 0.102
local terms energy: -83.050187
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -222.113372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.113372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.113372 (E_RNA)
where:
Base-Base interactions energy: -137.565
where: short stacking energy: -80.134
Base-Backbone interact. energy: -0.043
local terms energy: -84.505198
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -194.982457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.982457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.982457 (E_RNA)
where:
Base-Base interactions energy: -124.154
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.048
local terms energy: -70.779595
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -213.504971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.504971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.504971 (E_RNA)
where:
Base-Base interactions energy: -141.495
where: short stacking energy: -75.087
Base-Backbone interact. energy: -0.005
local terms energy: -72.004591
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -200.906647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.906647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.906647 (E_RNA)
where:
Base-Base interactions energy: -126.825
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.172
local terms energy: -73.909958
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -100.655781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.655781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.655781 (E_RNA)
where:
Base-Base interactions energy: -38.733
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.151
local terms energy: -61.771173
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -83.946705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.946705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.946705 (E_RNA)
where:
Base-Base interactions energy: -31.126
where: short stacking energy: -29.814
Base-Backbone interact. energy: -0.165
local terms energy: -52.655011
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -87.070148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070148 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -29.941
Base-Backbone interact. energy: -0.078
local terms energy: -56.799839
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -2.617
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: 333
Temperature: 1.350000
Total energy: -75.551233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.551233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.551233 (E_RNA)
where:
Base-Base interactions energy: -30.856
where: short stacking energy: -27.244
Base-Backbone interact. energy: 2.373
local terms energy: -47.068620
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: 2.695
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: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -224.435317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.435317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.435317 (E_RNA)
where:
Base-Base interactions energy: -147.135
where: short stacking energy: -74.915
Base-Backbone interact. energy: -0.103
local terms energy: -77.197914
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -22.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -214.476841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.476841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.476841 (E_RNA)
where:
Base-Base interactions energy: -132.550
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.002
local terms energy: -81.925237
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -201.696763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.696763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.696763 (E_RNA)
where:
Base-Base interactions energy: -138.830
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.004
local terms energy: -62.862752
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -213.992894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.992894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.992894 (E_RNA)
where:
Base-Base interactions energy: -135.490
where: short stacking energy: -79.016
Base-Backbone interact. energy: -0.086
local terms energy: -78.416697
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -24.132
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: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -198.623460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.623460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.623460 (E_RNA)
where:
Base-Base interactions energy: -126.536
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.073
local terms energy: -72.014751
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -183.202175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.202175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.202175 (E_RNA)
where:
Base-Base interactions energy: -108.515
where: short stacking energy: -59.381
Base-Backbone interact. energy: -0.240
local terms energy: -74.446549
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -91.893552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.893552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.893552 (E_RNA)
where:
Base-Base interactions energy: -34.266
where: short stacking energy: -34.266
Base-Backbone interact. energy: 0.054
local terms energy: -57.681551
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -4.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -92.006052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.006052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.006052 (E_RNA)
where:
Base-Base interactions energy: -42.230
where: short stacking energy: -32.621
Base-Backbone interact. energy: -0.113
local terms energy: -49.662964
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -85.912661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.912661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.912661 (E_RNA)
where:
Base-Base interactions energy: -33.437
where: short stacking energy: -28.273
Base-Backbone interact. energy: 2.131
local terms energy: -54.607346
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -86.160269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.160269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.160269 (E_RNA)
where:
Base-Base interactions energy: -29.165
where: short stacking energy: -29.165
Base-Backbone interact. energy: -0.087
local terms energy: -56.907901
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -227.284987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.284987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.284987 (E_RNA)
where:
Base-Base interactions energy: -136.399
where: short stacking energy: -74.060
Base-Backbone interact. energy: -0.064
local terms energy: -90.821345
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -24.270
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: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -209.066244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.066244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.066244 (E_RNA)
where:
Base-Base interactions energy: -131.512
where: short stacking energy: -68.991
Base-Backbone interact. energy: -0.067
local terms energy: -77.488041
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -212.865657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.865657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.865657 (E_RNA)
where:
Base-Base interactions energy: -136.888
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.052
local terms energy: -75.925270
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -213.170769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.170769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.170769 (E_RNA)
where:
Base-Base interactions energy: -135.894
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.018
local terms energy: -77.258918
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -201.490325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.490325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.490325 (E_RNA)
where:
Base-Base interactions energy: -128.582
where: short stacking energy: -71.836
Base-Backbone interact. energy: -0.060
local terms energy: -72.847854
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -184.163026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.163026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.163026 (E_RNA)
where:
Base-Base interactions energy: -119.872
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.034
local terms energy: -64.256695
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -99.180787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.180787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.180787 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -40.460
Base-Backbone interact. energy: -0.099
local terms energy: -58.622447
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -8.520
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: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -90.433188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.433188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.433188 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -34.000
Base-Backbone interact. energy: -0.337
local terms energy: -56.196470
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -5.653
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: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -89.521988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.521988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.521988 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -36.109
Base-Backbone interact. energy: -1.630
local terms energy: -51.783658
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -76.208258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.208258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.208258 (E_RNA)
where:
Base-Base interactions energy: -26.498
where: short stacking energy: -25.582
Base-Backbone interact. energy: -0.073
local terms energy: -49.637125
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -209.391985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.391985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.391985 (E_RNA)
where:
Base-Base interactions energy: -127.158
where: short stacking energy: -74.496
Base-Backbone interact. energy: -0.106
local terms energy: -82.127810
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -11.961
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: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -205.261590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261590 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -69.196
Base-Backbone interact. energy: -0.002
local terms energy: -78.258200
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -14.196
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: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -210.885494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.885494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.885494 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -74.930
Base-Backbone interact. energy: -0.010
local terms energy: -77.003587
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -198.085359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.085359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.085359 (E_RNA)
where:
Base-Base interactions energy: -128.376
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.173
local terms energy: -69.536445
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -209.616099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.616099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.616099 (E_RNA)
where:
Base-Base interactions energy: -136.341
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.031
local terms energy: -73.244443
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -181.064877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.064877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.064877 (E_RNA)
where:
Base-Base interactions energy: -108.220
where: short stacking energy: -55.710
Base-Backbone interact. energy: -0.407
local terms energy: -72.437530
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -7.826
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: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -99.275357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.275357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.275357 (E_RNA)
where:
Base-Base interactions energy: -47.766
where: short stacking energy: -45.309
Base-Backbone interact. energy: -0.046
local terms energy: -51.463541
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -95.508628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.508628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.508628 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -38.758
Base-Backbone interact. energy: -0.272
local terms energy: -56.472669
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.489
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: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -86.781111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.781111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.781111 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.186
local terms energy: -49.852293
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -89.607379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.607379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.607379 (E_RNA)
where:
Base-Base interactions energy: -34.160
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.009
local terms energy: -55.438183
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.638
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: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -224.718282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.718282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.718282 (E_RNA)
where:
Base-Base interactions energy: -141.480
where: short stacking energy: -78.545
Base-Backbone interact. energy: -0.009
local terms energy: -83.229303
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -219.366712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.366712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.366712 (E_RNA)
where:
Base-Base interactions energy: -141.928
where: short stacking energy: -77.088
Base-Backbone interact. energy: -0.001
local terms energy: -77.437272
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -203.184940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.184940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.184940 (E_RNA)
where:
Base-Base interactions energy: -130.633
where: short stacking energy: -65.851
Base-Backbone interact. energy: -0.135
local terms energy: -72.417069
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -11.775
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: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -208.325294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.325294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.325294 (E_RNA)
where:
Base-Base interactions energy: -133.015
where: short stacking energy: -68.544
Base-Backbone interact. energy: -0.066
local terms energy: -75.244350
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.571
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: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -163.146859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.146859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.146859 (E_RNA)
where:
Base-Base interactions energy: -105.647
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.114
local terms energy: -57.385773
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -192.971413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.971413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.971413 (E_RNA)
where:
Base-Base interactions energy: -126.035
where: short stacking energy: -62.099
Base-Backbone interact. energy: -0.090
local terms energy: -66.846588
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -15.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -95.981976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.981976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.981976 (E_RNA)
where:
Base-Base interactions energy: -45.996
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.090
local terms energy: -49.896563
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.281
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: 8, replica: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -89.602842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602842 (E_RNA)
where:
Base-Base interactions energy: -37.531
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.165
local terms energy: -51.906180
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -78.012589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.012589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.012589 (E_RNA)
where:
Base-Base interactions energy: -27.486
where: short stacking energy: -22.971
Base-Backbone interact. energy: 0.678
local terms energy: -51.204498
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -80.469583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.469583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.469583 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.098
local terms energy: -46.830733
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -9.321
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: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -224.489816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.489816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.489816 (E_RNA)
where:
Base-Base interactions energy: -142.011
where: short stacking energy: -79.220
Base-Backbone interact. energy: -0.004
local terms energy: -82.475491
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -211.603043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.603043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.603043 (E_RNA)
where:
Base-Base interactions energy: -133.785
where: short stacking energy: -73.663
Base-Backbone interact. energy: -0.614
local terms energy: -77.203284
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -208.611192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.611192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.611192 (E_RNA)
where:
Base-Base interactions energy: -132.994
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.107
local terms energy: -75.510686
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -12.296
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: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -213.901556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.901556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.901556 (E_RNA)
where:
Base-Base interactions energy: -139.114
where: short stacking energy: -80.495
Base-Backbone interact. energy: -0.033
local terms energy: -74.754320
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -191.096293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.096293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.096293 (E_RNA)
where:
Base-Base interactions energy: -110.924
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.093
local terms energy: -80.078404
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -16.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -153.638034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.638034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.638034 (E_RNA)
where:
Base-Base interactions energy: -86.645
where: short stacking energy: -46.750
Base-Backbone interact. energy: -0.696
local terms energy: -66.296973
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -11.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -108.099228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.099228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.099228 (E_RNA)
where:
Base-Base interactions energy: -44.033
where: short stacking energy: -41.234
Base-Backbone interact. energy: -0.111
local terms energy: -63.955425
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -98.928590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.928590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.928590 (E_RNA)
where:
Base-Base interactions energy: -37.760
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.083
local terms energy: -61.084826
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -88.293779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.293779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.293779 (E_RNA)
where:
Base-Base interactions energy: -33.559
where: short stacking energy: -33.559
Base-Backbone interact. energy: -0.059
local terms energy: -54.675719
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -100.342829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.342829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.342829 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.084
local terms energy: -59.472221
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -227.504665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.504665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.504665 (E_RNA)
where:
Base-Base interactions energy: -146.261
where: short stacking energy: -75.565
Base-Backbone interact. energy: 0.243
local terms energy: -81.486799
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -12.850
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: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -213.501471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.501471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.501471 (E_RNA)
where:
Base-Base interactions energy: -137.446
where: short stacking energy: -76.457
Base-Backbone interact. energy: -0.055
local terms energy: -75.999877
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -23.009
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: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -211.497136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.497136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.497136 (E_RNA)
where:
Base-Base interactions energy: -138.841
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.151
local terms energy: -72.505571
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -16.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -216.486748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.486748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.486748 (E_RNA)
where:
Base-Base interactions energy: -135.889
where: short stacking energy: -72.732
Base-Backbone interact. energy: -0.096
local terms energy: -80.501300
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -8.492
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: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -209.300009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.300009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.300009 (E_RNA)
where:
Base-Base interactions energy: -139.876
where: short stacking energy: -66.082
Base-Backbone interact. energy: -0.218
local terms energy: -69.205897
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -21.036
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: 339
Temperature: 1.150000
Total energy: -157.316172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.316172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.316172 (E_RNA)
where:
Base-Base interactions energy: -88.988
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.061
local terms energy: -68.267824
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -99.541893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.541893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.541893 (E_RNA)
where:
Base-Base interactions energy: -45.592
where: short stacking energy: -40.538
Base-Backbone interact. energy: 0.129
local terms energy: -54.079242
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -89.028751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.028751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.028751 (E_RNA)
where:
Base-Base interactions energy: -36.270
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.105
local terms energy: -52.653106
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -5.471
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: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -85.573983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.573983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.573983 (E_RNA)
where:
Base-Base interactions energy: -33.158
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.008
local terms energy: -52.407728
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -78.382156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.382156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.382156 (E_RNA)
where:
Base-Base interactions energy: -35.750
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.184
local terms energy: -42.448204
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: 3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -225.803205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.803205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803205 (E_RNA)
where:
Base-Base interactions energy: -143.307
where: short stacking energy: -72.888
Base-Backbone interact. energy: -0.042
local terms energy: -82.453929
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -22.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -230.658117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.658117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.658117 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.015
local terms energy: -89.010521
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -221.671142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.671142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.671142 (E_RNA)
where:
Base-Base interactions energy: -137.244
where: short stacking energy: -68.374
Base-Backbone interact. energy: -0.090
local terms energy: -84.337076
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -21.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -203.863379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.863379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.863379 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.076
local terms energy: -71.958490
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.971
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: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -206.771628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.771628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.771628 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -64.378
Base-Backbone interact. energy: -0.001
local terms energy: -78.728264
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -9.087
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: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -159.880541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.880541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.880541 (E_RNA)
where:
Base-Base interactions energy: -95.681
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.323
local terms energy: -63.876567
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -9.550
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: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -107.594342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.594342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.594342 (E_RNA)
where:
Base-Base interactions energy: -45.069
where: short stacking energy: -45.069
Base-Backbone interact. energy: -0.103
local terms energy: -62.421980
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -89.159928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.159928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.159928 (E_RNA)
where:
Base-Base interactions energy: -38.381
where: short stacking energy: -38.381
Base-Backbone interact. energy: -0.218
local terms energy: -50.560818
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -102.435358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.435358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.435358 (E_RNA)
where:
Base-Base interactions energy: -50.764
where: short stacking energy: -45.416
Base-Backbone interact. energy: -0.427
local terms energy: -51.244285
where:
bonds (distance) C4'-P energy: -4.299
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -74.628447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.628447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.628447 (E_RNA)
where:
Base-Base interactions energy: -30.584
where: short stacking energy: -24.635
Base-Backbone interact. energy: -0.165
local terms energy: -43.879537
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -6.754
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -226.686235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.686235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.686235 (E_RNA)
where:
Base-Base interactions energy: -143.207
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.055
local terms energy: -83.424423
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -226.174794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.174794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.174794 (E_RNA)
where:
Base-Base interactions energy: -142.698
where: short stacking energy: -77.343
Base-Backbone interact. energy: -0.154
local terms energy: -83.322873
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -214.898101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.898101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.898101 (E_RNA)
where:
Base-Base interactions energy: -130.052
where: short stacking energy: -67.017
Base-Backbone interact. energy: -0.052
local terms energy: -84.794508
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -18.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -193.587375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.587375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.587375 (E_RNA)
where:
Base-Base interactions energy: -127.309
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.085
local terms energy: -66.193055
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -205.913013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.913013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.913013 (E_RNA)
where:
Base-Base interactions energy: -134.081
where: short stacking energy: -72.898
Base-Backbone interact. energy: -0.095
local terms energy: -71.737593
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -107.538846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.538846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.538846 (E_RNA)
where:
Base-Base interactions energy: -47.175
where: short stacking energy: -44.636
Base-Backbone interact. energy: -0.227
local terms energy: -60.137343
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -10.832
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: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -151.506709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.506709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.506709 (E_RNA)
where:
Base-Base interactions energy: -84.299
where: short stacking energy: -49.534
Base-Backbone interact. energy: -0.167
local terms energy: -67.040187
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -98.269427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.269427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.269427 (E_RNA)
where:
Base-Base interactions energy: -45.244
where: short stacking energy: -45.017
Base-Backbone interact. energy: -0.123
local terms energy: -52.902297
where:
bonds (distance) C4'-P energy: -6.715
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -2.450
tors. eta vs tors. theta energy: -9.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -87.559361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.559361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.559361 (E_RNA)
where:
Base-Base interactions energy: -34.985
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.481
local terms energy: -52.093290
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -92.521030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.521030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.521030 (E_RNA)
where:
Base-Base interactions energy: -40.890
where: short stacking energy: -38.786
Base-Backbone interact. energy: -0.026
local terms energy: -51.605250
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -224.364318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.364318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.364318 (E_RNA)
where:
Base-Base interactions energy: -144.958
where: short stacking energy: -77.479
Base-Backbone interact. energy: -0.002
local terms energy: -79.404714
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -219.423194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.423194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.423194 (E_RNA)
where:
Base-Base interactions energy: -149.583
where: short stacking energy: -70.804
Base-Backbone interact. energy: -0.012
local terms energy: -69.827617
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -218.865671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.865671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.865671 (E_RNA)
where:
Base-Base interactions energy: -134.167
where: short stacking energy: -72.515
Base-Backbone interact. energy: -0.731
local terms energy: -83.967714
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -209.518892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.518892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.518892 (E_RNA)
where:
Base-Base interactions energy: -137.917
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.116
local terms energy: -71.485387
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -12.465
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: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -198.181522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.181522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.181522 (E_RNA)
where:
Base-Base interactions energy: -123.417
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.025
local terms energy: -74.739297
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -110.859260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.859260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.859260 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -48.616
Base-Backbone interact. energy: 0.200
local terms energy: -62.431749
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -9.443
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: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -92.992607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.992607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.992607 (E_RNA)
where:
Base-Base interactions energy: -33.748
where: short stacking energy: -27.714
Base-Backbone interact. energy: -0.393
local terms energy: -58.851637
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -111.691493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.691493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.691493 (E_RNA)
where:
Base-Base interactions energy: -55.401
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.316
local terms energy: -55.974034
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -90.460105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.460105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.460105 (E_RNA)
where:
Base-Base interactions energy: -44.381
where: short stacking energy: -33.870
Base-Backbone interact. energy: -0.137
local terms energy: -45.941620
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -4.207
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: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -81.364412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.364412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.364412 (E_RNA)
where:
Base-Base interactions energy: -37.623
where: short stacking energy: -34.457
Base-Backbone interact. energy: -0.532
local terms energy: -43.209644
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -4.146
tors. eta vs tors. theta energy: -3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -225.752444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.752444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.752444 (E_RNA)
where:
Base-Base interactions energy: -142.299
where: short stacking energy: -74.162
Base-Backbone interact. energy: -0.010
local terms energy: -83.443716
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -218.606322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.606322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.606322 (E_RNA)
where:
Base-Base interactions energy: -138.647
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.309
local terms energy: -79.651178
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -212.782873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.782873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.782873 (E_RNA)
where:
Base-Base interactions energy: -135.830
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.045
local terms energy: -76.908329
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -11.925
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: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -211.520966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.520966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.520966 (E_RNA)
where:
Base-Base interactions energy: -132.253
where: short stacking energy: -73.899
Base-Backbone interact. energy: -0.014
local terms energy: -79.254747
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -12.565
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -22.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -198.224594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.224594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.224594 (E_RNA)
where:
Base-Base interactions energy: -125.352
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.035
local terms energy: -72.837620
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -105.438199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.438199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.438199 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -39.408
Base-Backbone interact. energy: -0.006
local terms energy: -66.024822
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -88.821527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821527 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -34.333
Base-Backbone interact. energy: -0.623
local terms energy: -53.154383
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -130.310533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.310533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.310533 (E_RNA)
where:
Base-Base interactions energy: -73.990
where: short stacking energy: -44.298
Base-Backbone interact. energy: -0.004
local terms energy: -56.317011
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.597032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.597032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.597032 (E_RNA)
where:
Base-Base interactions energy: -39.960
where: short stacking energy: -39.960
Base-Backbone interact. energy: 0.267
local terms energy: -51.904055
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -6.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -83.575468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.575468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.575468 (E_RNA)
where:
Base-Base interactions energy: -33.220
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.827
local terms energy: -49.528107
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -230.121881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.121881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.121881 (E_RNA)
where:
Base-Base interactions energy: -142.767
where: short stacking energy: -83.862
Base-Backbone interact. energy: -0.012
local terms energy: -87.343369
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -23.941
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: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -212.579639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.579639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.579639 (E_RNA)
where:
Base-Base interactions energy: -139.681
where: short stacking energy: -75.194
Base-Backbone interact. energy: -0.382
local terms energy: -72.516270
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -216.044886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.044886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044886 (E_RNA)
where:
Base-Base interactions energy: -133.665
where: short stacking energy: -76.204
Base-Backbone interact. energy: -0.007
local terms energy: -82.372782
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -24.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -217.216433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.216433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.216433 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -75.344
Base-Backbone interact. energy: -0.038
local terms energy: -86.022028
where:
bonds (distance) C4'-P energy: -18.030
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -191.630267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.630267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.630267 (E_RNA)
where:
Base-Base interactions energy: -122.254
where: short stacking energy: -58.103
Base-Backbone interact. energy: -0.118
local terms energy: -69.257814
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -100.686780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.686780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.686780 (E_RNA)
where:
Base-Base interactions energy: -36.955
where: short stacking energy: -36.955
Base-Backbone interact. energy: -0.145
local terms energy: -63.587088
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -9.169
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: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -122.232393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.232393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.232393 (E_RNA)
where:
Base-Base interactions energy: -69.240
where: short stacking energy: -43.030
Base-Backbone interact. energy: -0.231
local terms energy: -52.761436
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -91.678508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.678508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.678508 (E_RNA)
where:
Base-Base interactions energy: -28.992
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.522
local terms energy: -62.165238
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -10.998
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: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -81.930240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.930240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.930240 (E_RNA)
where:
Base-Base interactions energy: -31.831
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.074
local terms energy: -50.025967
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -81.444536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.444536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.444536 (E_RNA)
where:
Base-Base interactions energy: -26.674
where: short stacking energy: -22.900
Base-Backbone interact. energy: -0.531
local terms energy: -54.239204
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -228.913337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.913337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.913337 (E_RNA)
where:
Base-Base interactions energy: -143.638
where: short stacking energy: -79.307
Base-Backbone interact. energy: -0.012
local terms energy: -85.263655
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -219.159778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.159778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.159778 (E_RNA)
where:
Base-Base interactions energy: -141.837
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.002
local terms energy: -77.320777
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -205.647968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.647968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.647968 (E_RNA)
where:
Base-Base interactions energy: -128.152
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.639
local terms energy: -76.856593
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -18.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -206.990874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.990874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.990874 (E_RNA)
where:
Base-Base interactions energy: -132.994
where: short stacking energy: -68.642
Base-Backbone interact. energy: 0.838
local terms energy: -74.834880
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -200.701245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.701245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.701245 (E_RNA)
where:
Base-Base interactions energy: -130.370
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.131
local terms energy: -70.200227
where:
bonds (distance) C4'-P energy: -6.299
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.999
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: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -109.544737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.544737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.544737 (E_RNA)
where:
Base-Base interactions energy: -50.537
where: short stacking energy: -42.042
Base-Backbone interact. energy: -0.109
local terms energy: -58.899143
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -11.421
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: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -104.071041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.071041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.071041 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -37.936
Base-Backbone interact. energy: -0.002
local terms energy: -66.132840
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -96.220569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.220569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.220569 (E_RNA)
where:
Base-Base interactions energy: -45.174
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.153
local terms energy: -50.893388
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -5.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -84.463619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463619 (E_RNA)
where:
Base-Base interactions energy: -31.524
where: short stacking energy: -31.524
Base-Backbone interact. energy: -0.046
local terms energy: -52.893829
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -99.506472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.506472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.506472 (E_RNA)
where:
Base-Base interactions energy: -40.604
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.460
local terms energy: -58.443109
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.210
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: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -219.992807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.992807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.992807 (E_RNA)
where:
Base-Base interactions energy: -136.263
where: short stacking energy: -79.595
Base-Backbone interact. energy: -0.000
local terms energy: -83.729518
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -225.745236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.745236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.745236 (E_RNA)
where:
Base-Base interactions energy: -144.070
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.005
local terms energy: -81.670575
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -24.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -214.571055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.571055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.571055 (E_RNA)
where:
Base-Base interactions energy: -142.496
where: short stacking energy: -78.127
Base-Backbone interact. energy: -0.035
local terms energy: -72.039310
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -216.435381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.435381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.435381 (E_RNA)
where:
Base-Base interactions energy: -133.830
where: short stacking energy: -75.260
Base-Backbone interact. energy: -0.001
local terms energy: -82.605271
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -196.963429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.963429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.963429 (E_RNA)
where:
Base-Base interactions energy: -123.438
where: short stacking energy: -74.768
Base-Backbone interact. energy: -0.026
local terms energy: -73.499881
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -108.193605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.193605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.193605 (E_RNA)
where:
Base-Base interactions energy: -42.647
where: short stacking energy: -37.785
Base-Backbone interact. energy: -0.035
local terms energy: -65.512295
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -109.233917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.233917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.233917 (E_RNA)
where:
Base-Base interactions energy: -47.801
where: short stacking energy: -45.133
Base-Backbone interact. energy: 0.536
local terms energy: -61.968870
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -8.902
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: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -93.430759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.430759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.430759 (E_RNA)
where:
Base-Base interactions energy: -43.739
where: short stacking energy: -37.734
Base-Backbone interact. energy: -0.037
local terms energy: -49.654497
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -88.159276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.159276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.159276 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -28.039
Base-Backbone interact. energy: -0.314
local terms energy: -51.232745
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -75.916319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.916319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.916319 (E_RNA)
where:
Base-Base interactions energy: -27.783
where: short stacking energy: -21.022
Base-Backbone interact. energy: 1.614
local terms energy: -49.747986
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -224.022530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.022530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.022530 (E_RNA)
where:
Base-Base interactions energy: -143.920
where: short stacking energy: -83.657
Base-Backbone interact. energy: -0.008
local terms energy: -80.094487
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -23.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -221.580716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.580716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.580716 (E_RNA)
where:
Base-Base interactions energy: -140.223
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.357
local terms energy: -81.000323
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -211.206746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.206746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.206746 (E_RNA)
where:
Base-Base interactions energy: -129.833
where: short stacking energy: -71.940
Base-Backbone interact. energy: -0.091
local terms energy: -81.282157
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -22.273
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: 347
Temperature: 1.050000
Total energy: -197.420610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.420610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.420610 (E_RNA)
where:
Base-Base interactions energy: -120.790
where: short stacking energy: -69.524
Base-Backbone interact. energy: -0.872
local terms energy: -75.758920
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -7.170
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: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -198.756656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.756656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.756656 (E_RNA)
where:
Base-Base interactions energy: -119.294
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.061
local terms energy: -79.401315
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -10.161
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: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -103.092369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.092369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.092369 (E_RNA)
where:
Base-Base interactions energy: -42.208
where: short stacking energy: -29.842
Base-Backbone interact. energy: -0.130
local terms energy: -60.755128
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -101.069889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.069889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.069889 (E_RNA)
where:
Base-Base interactions energy: -43.373
where: short stacking energy: -43.373
Base-Backbone interact. energy: 3.551
local terms energy: -61.247372
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -113.028214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.028214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.028214 (E_RNA)
where:
Base-Base interactions energy: -46.020
where: short stacking energy: -45.095
Base-Backbone interact. energy: -0.091
local terms energy: -66.918041
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -88.044636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.044636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.044636 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -27.740
Base-Backbone interact. energy: -0.095
local terms energy: -60.210113
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -80.399418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.399418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.399418 (E_RNA)
where:
Base-Base interactions energy: -26.140
where: short stacking energy: -25.421
Base-Backbone interact. energy: -0.020
local terms energy: -54.239103
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -219.828975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.828975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.828975 (E_RNA)
where:
Base-Base interactions energy: -141.363
where: short stacking energy: -77.369
Base-Backbone interact. energy: -0.086
local terms energy: -78.380507
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -224.642540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.642540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.642540 (E_RNA)
where:
Base-Base interactions energy: -140.588
where: short stacking energy: -74.131
Base-Backbone interact. energy: -0.115
local terms energy: -83.939183
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -13.640
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -196.895912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.895912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.895912 (E_RNA)
where:
Base-Base interactions energy: -128.699
where: short stacking energy: -67.258
Base-Backbone interact. energy: -0.088
local terms energy: -68.108522
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -208.436968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.436968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.436968 (E_RNA)
where:
Base-Base interactions energy: -135.878
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.023
local terms energy: -72.535963
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -18.185
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: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -197.604971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.604971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.604971 (E_RNA)
where:
Base-Base interactions energy: -126.461
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.043
local terms energy: -71.100276
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.975
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: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -133.746895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.746895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.746895 (E_RNA)
where:
Base-Base interactions energy: -71.819
where: short stacking energy: -46.329
Base-Backbone interact. energy: -0.311
local terms energy: -61.617046
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -7.625
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: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -102.759510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.759510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.759510 (E_RNA)
where:
Base-Base interactions energy: -40.909
where: short stacking energy: -40.909
Base-Backbone interact. energy: -0.031
local terms energy: -61.819192
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -85.669418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.669418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.669418 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -31.542
Base-Backbone interact. energy: -0.300
local terms energy: -49.794989
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -80.254090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.254090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.254090 (E_RNA)
where:
Base-Base interactions energy: -30.929
where: short stacking energy: -30.929
Base-Backbone interact. energy: 0.246
local terms energy: -49.570840
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -81.610286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.610286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.610286 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -26.641
Base-Backbone interact. energy: 0.502
local terms energy: -43.931013
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -6.991
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -224.784869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.784869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.784869 (E_RNA)
where:
Base-Base interactions energy: -143.049
where: short stacking energy: -72.395
Base-Backbone interact. energy: -0.004
local terms energy: -81.731964
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -209.643175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.643175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.643175 (E_RNA)
where:
Base-Base interactions energy: -131.981
where: short stacking energy: -63.969
Base-Backbone interact. energy: -0.383
local terms energy: -77.278362
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -202.099944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.099944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.099944 (E_RNA)
where:
Base-Base interactions energy: -129.852
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.062
local terms energy: -72.186136
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -208.338306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.338306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.338306 (E_RNA)
where:
Base-Base interactions energy: -132.488
where: short stacking energy: -68.132
Base-Backbone interact. energy: -0.129
local terms energy: -75.721999
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -7.137
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: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -212.340080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.340080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.340080 (E_RNA)
where:
Base-Base interactions energy: -132.863
where: short stacking energy: -72.296
Base-Backbone interact. energy: -0.055
local terms energy: -79.421563
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -110.707264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.707264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.707264 (E_RNA)
where:
Base-Base interactions energy: -45.724
where: short stacking energy: -44.540
Base-Backbone interact. energy: -0.102
local terms energy: -64.881969
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -14.320
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: 349
Temperature: 1.200000
Total energy: -122.463313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.463313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.463313 (E_RNA)
where:
Base-Base interactions energy: -71.413
where: short stacking energy: -32.155
Base-Backbone interact. energy: -0.179
local terms energy: -50.871694
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -4.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -95.948452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.948452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.948452 (E_RNA)
where:
Base-Base interactions energy: -44.084
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.110
local terms energy: -51.753613
where:
bonds (distance) C4'-P energy: -7.936
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -79.086621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.086621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.086621 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -22.715
Base-Backbone interact. energy: -0.111
local terms energy: -40.929929
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -0.443
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -74.533591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.533591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.533591 (E_RNA)
where:
Base-Base interactions energy: -25.078
where: short stacking energy: -25.078
Base-Backbone interact. energy: -0.220
local terms energy: -49.235686
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: 3.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -195.293029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.293029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.293029 (E_RNA)
where:
Base-Base interactions energy: -127.374
where: short stacking energy: -59.336
Base-Backbone interact. energy: -0.236
local terms energy: -67.683485
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -15.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -220.867981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.867981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.867981 (E_RNA)
where:
Base-Base interactions energy: -136.998
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.035
local terms energy: -83.834600
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -224.365030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.365030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.365030 (E_RNA)
where:
Base-Base interactions energy: -141.031
where: short stacking energy: -72.547
Base-Backbone interact. energy: 0.171
local terms energy: -83.505675
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -218.929945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929945 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -80.757
Base-Backbone interact. energy: -0.003
local terms energy: -77.123717
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -191.504638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.504638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.504638 (E_RNA)
where:
Base-Base interactions energy: -122.843
where: short stacking energy: -69.528
Base-Backbone interact. energy: -0.004
local terms energy: -68.658408
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -97.683071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.683071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.683071 (E_RNA)
where:
Base-Base interactions energy: -37.143
where: short stacking energy: -33.079
Base-Backbone interact. energy: -0.061
local terms energy: -60.479023
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -7.283
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -85.942741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.942741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.942741 (E_RNA)
where:
Base-Base interactions energy: -33.760
where: short stacking energy: -33.760
Base-Backbone interact. energy: 0.718
local terms energy: -52.901077
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -4.846
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: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -88.709854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.709854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.709854 (E_RNA)
where:
Base-Base interactions energy: -37.294
where: short stacking energy: -37.294
Base-Backbone interact. energy: -0.069
local terms energy: -51.346424
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -3.380
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -84.189921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.189921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.189921 (E_RNA)
where:
Base-Base interactions energy: -36.262
where: short stacking energy: -36.262
Base-Backbone interact. energy: -0.087
local terms energy: -47.841245
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -80.313344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.313344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.313344 (E_RNA)
where:
Base-Base interactions energy: -28.819
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.057
local terms energy: -51.437331
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -222.849769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.849769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.849769 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -74.193
Base-Backbone interact. energy: 0.181
local terms energy: -75.835174
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.674
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: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -225.360710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.360710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.360710 (E_RNA)
where:
Base-Base interactions energy: -147.127
where: short stacking energy: -78.369
Base-Backbone interact. energy: -0.001
local terms energy: -78.233207
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -212.336938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.336938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.336938 (E_RNA)
where:
Base-Base interactions energy: -139.196
where: short stacking energy: -70.741
Base-Backbone interact. energy: -0.101
local terms energy: -73.040412
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -204.524042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.524042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.524042 (E_RNA)
where:
Base-Base interactions energy: -127.910
where: short stacking energy: -65.899
Base-Backbone interact. energy: -0.617
local terms energy: -75.997358
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -224.383470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.383470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.383470 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -79.248
Base-Backbone interact. energy: -0.005
local terms energy: -83.421351
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -113.931941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.931941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.931941 (E_RNA)
where:
Base-Base interactions energy: -50.456
where: short stacking energy: -50.456
Base-Backbone interact. energy: -0.123
local terms energy: -63.352464
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -91.348623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.348623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.348623 (E_RNA)
where:
Base-Base interactions energy: -33.934
where: short stacking energy: -28.335
Base-Backbone interact. energy: -0.107
local terms energy: -57.307467
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -96.273357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.273357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.273357 (E_RNA)
where:
Base-Base interactions energy: -43.682
where: short stacking energy: -37.968
Base-Backbone interact. energy: -0.169
local terms energy: -52.423059
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -8.203
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -96.073967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.073967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.073967 (E_RNA)
where:
Base-Base interactions energy: -46.654
where: short stacking energy: -38.589
Base-Backbone interact. energy: 1.783
local terms energy: -51.202394
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -7.439
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -7.119
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: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -72.929816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.929816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.929816 (E_RNA)
where:
Base-Base interactions energy: -24.974
where: short stacking energy: -24.974
Base-Backbone interact. energy: -0.039
local terms energy: -47.916834
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -224.445803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.445803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.445803 (E_RNA)
where:
Base-Base interactions energy: -146.520
where: short stacking energy: -78.927
Base-Backbone interact. energy: -0.015
local terms energy: -77.911035
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -221.187582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.187582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.187582 (E_RNA)
where:
Base-Base interactions energy: -140.263
where: short stacking energy: -80.184
Base-Backbone interact. energy: -0.023
local terms energy: -80.901730
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -21.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -214.725078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.725078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.725078 (E_RNA)
where:
Base-Base interactions energy: -141.167
where: short stacking energy: -75.481
Base-Backbone interact. energy: -0.102
local terms energy: -73.455784
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -197.743302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.743302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.743302 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -54.601
Base-Backbone interact. energy: -0.009
local terms energy: -76.046935
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -13.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -213.018293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.018293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.018293 (E_RNA)
where:
Base-Base interactions energy: -133.575
where: short stacking energy: -71.471
Base-Backbone interact. energy: -0.045
local terms energy: -79.398150
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -113.759781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.759781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.759781 (E_RNA)
where:
Base-Base interactions energy: -50.092
where: short stacking energy: -50.092
Base-Backbone interact. energy: -0.030
local terms energy: -63.637249
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -92.243185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.243185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.243185 (E_RNA)
where:
Base-Base interactions energy: -41.986
where: short stacking energy: -41.986
Base-Backbone interact. energy: 1.329
local terms energy: -51.585669
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -93.375301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.375301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.375301 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -28.047
Base-Backbone interact. energy: -0.004
local terms energy: -60.085546
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -85.330025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.330025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.330025 (E_RNA)
where:
Base-Base interactions energy: -38.996
where: short stacking energy: -34.624
Base-Backbone interact. energy: -0.218
local terms energy: -46.116891
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -88.661131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.661131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.661131 (E_RNA)
where:
Base-Base interactions energy: -39.546
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.247
local terms energy: -48.867564
where:
bonds (distance) C4'-P energy: -5.995
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -223.276525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.276525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.276525 (E_RNA)
where:
Base-Base interactions energy: -142.170
where: short stacking energy: -78.308
Base-Backbone interact. energy: -0.245
local terms energy: -80.861109
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -223.765653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.765653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.765653 (E_RNA)
where:
Base-Base interactions energy: -146.041
where: short stacking energy: -77.508
Base-Backbone interact. energy: -0.041
local terms energy: -77.683834
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -211.389484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.389484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.389484 (E_RNA)
where:
Base-Base interactions energy: -133.490
where: short stacking energy: -65.152
Base-Backbone interact. energy: -0.047
local terms energy: -77.853168
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -202.638006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.638006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.638006 (E_RNA)
where:
Base-Base interactions energy: -127.992
where: short stacking energy: -72.251
Base-Backbone interact. energy: -0.489
local terms energy: -74.157352
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.080
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: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -194.565079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.565079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565079 (E_RNA)
where:
Base-Base interactions energy: -125.215
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.053
local terms energy: -69.296876
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -107.597461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.597461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.597461 (E_RNA)
where:
Base-Base interactions energy: -52.048
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.069
local terms energy: -55.480221
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -107.185057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.185057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.185057 (E_RNA)
where:
Base-Base interactions energy: -43.730
where: short stacking energy: -43.730
Base-Backbone interact. energy: -0.084
local terms energy: -63.370806
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -100.873906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.873906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.873906 (E_RNA)
where:
Base-Base interactions energy: -40.825
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.051
local terms energy: -59.996991
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -8.639
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: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -84.685773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.685773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.685773 (E_RNA)
where:
Base-Base interactions energy: -28.695
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.139
local terms energy: -55.851444
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -10.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -91.917376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.917376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.917376 (E_RNA)
where:
Base-Base interactions energy: -43.832
where: short stacking energy: -22.533
Base-Backbone interact. energy: -0.157
local terms energy: -47.928079
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -226.283574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283574 (E_RNA)
where:
Base-Base interactions energy: -145.323
where: short stacking energy: -75.739
Base-Backbone interact. energy: 0.909
local terms energy: -81.870185
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -219.228348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.228348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.228348 (E_RNA)
where:
Base-Base interactions energy: -140.901
where: short stacking energy: -76.115
Base-Backbone interact. energy: -0.592
local terms energy: -77.735627
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -21.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -205.748551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.748551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.748551 (E_RNA)
where:
Base-Base interactions energy: -135.171
where: short stacking energy: -66.354
Base-Backbone interact. energy: -0.162
local terms energy: -70.415778
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -9.835
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: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -213.482961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.482961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.482961 (E_RNA)
where:
Base-Base interactions energy: -132.926
where: short stacking energy: -66.984
Base-Backbone interact. energy: -0.005
local terms energy: -80.552078
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -13.931
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: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -200.733021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.733021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.733021 (E_RNA)
where:
Base-Base interactions energy: -135.134
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.015
local terms energy: -65.584352
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -107.209362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.209362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.209362 (E_RNA)
where:
Base-Base interactions energy: -48.692
where: short stacking energy: -48.692
Base-Backbone interact. energy: -0.029
local terms energy: -58.488373
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -10.094
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: 7, replica: 8
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -91.953309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.953309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.953309 (E_RNA)
where:
Base-Base interactions energy: -44.515
where: short stacking energy: -44.515
Base-Backbone interact. energy: -0.046
local terms energy: -47.392153
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -6.421
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -85.259985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259985 (E_RNA)
where:
Base-Base interactions energy: -23.634
where: short stacking energy: -23.634
Base-Backbone interact. energy: -0.040
local terms energy: -61.586067
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -87.282653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.282653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.282653 (E_RNA)
where:
Base-Base interactions energy: -31.053
where: short stacking energy: -31.053
Base-Backbone interact. energy: -0.192
local terms energy: -56.037453
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -2.137
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -76.954696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.954696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.954696 (E_RNA)
where:
Base-Base interactions energy: -27.858
where: short stacking energy: -26.693
Base-Backbone interact. energy: -0.154
local terms energy: -48.942574
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -224.118517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.118517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.118517 (E_RNA)
where:
Base-Base interactions energy: -139.678
where: short stacking energy: -73.250
Base-Backbone interact. energy: -0.034
local terms energy: -84.407247
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -23.734
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: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -225.967210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.967210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.967210 (E_RNA)
where:
Base-Base interactions energy: -142.588
where: short stacking energy: -74.671
Base-Backbone interact. energy: 0.600
local terms energy: -83.979270
where:
bonds (distance) C4'-P energy: -18.146
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -24.700
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: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -209.890940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.890940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.890940 (E_RNA)
where:
Base-Base interactions energy: -132.690
where: short stacking energy: -70.831
Base-Backbone interact. energy: -0.137
local terms energy: -77.064300
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -17.101
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: 3
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -194.451965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.451965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.451965 (E_RNA)
where:
Base-Base interactions energy: -120.826
where: short stacking energy: -60.338
Base-Backbone interact. energy: -0.012
local terms energy: -73.613913
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -208.505626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.505626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.505626 (E_RNA)
where:
Base-Base interactions energy: -130.113
where: short stacking energy: -72.481
Base-Backbone interact. energy: -0.406
local terms energy: -77.986647
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -15.130
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: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -99.224173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.224173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.224173 (E_RNA)
where:
Base-Base interactions energy: -44.929
where: short stacking energy: -39.646
Base-Backbone interact. energy: -0.368
local terms energy: -53.927443
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -5.418
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: 7, replica: 8
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -103.029314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.029314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.029314 (E_RNA)
where:
Base-Base interactions energy: -55.914
where: short stacking energy: -29.052
Base-Backbone interact. energy: -0.531
local terms energy: -46.585191
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -97.740883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.740883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.740883 (E_RNA)
where:
Base-Base interactions energy: -48.100
where: short stacking energy: -20.800
Base-Backbone interact. energy: 0.168
local terms energy: -49.809103
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -10.355
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: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -93.748961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.748961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.748961 (E_RNA)
where:
Base-Base interactions energy: -36.114
where: short stacking energy: -36.114
Base-Backbone interact. energy: -0.244
local terms energy: -57.390036
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -4.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -81.652290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.652290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.652290 (E_RNA)
where:
Base-Base interactions energy: -27.232
where: short stacking energy: -27.232
Base-Backbone interact. energy: -0.265
local terms energy: -54.155407
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -9.117
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -223.628660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.628660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.628660 (E_RNA)
where:
Base-Base interactions energy: -141.998
where: short stacking energy: -78.201
Base-Backbone interact. energy: -0.039
local terms energy: -81.591194
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -226.687195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.687195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.687195 (E_RNA)
where:
Base-Base interactions energy: -142.158
where: short stacking energy: -82.665
Base-Backbone interact. energy: -0.004
local terms energy: -84.525536
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -23.982
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: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -206.735212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.735212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.735212 (E_RNA)
where:
Base-Base interactions energy: -132.219
where: short stacking energy: -70.895
Base-Backbone interact. energy: 1.999
local terms energy: -76.516020
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -9.585
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: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -216.510506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510506 (E_RNA)
where:
Base-Base interactions energy: -137.636
where: short stacking energy: -70.099
Base-Backbone interact. energy: -0.010
local terms energy: -78.864334
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -13.674
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: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -205.783951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.783951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.783951 (E_RNA)
where:
Base-Base interactions energy: -130.719
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.234
local terms energy: -74.830717
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -142.554652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.554652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.554652 (E_RNA)
where:
Base-Base interactions energy: -74.911
where: short stacking energy: -51.428
Base-Backbone interact. energy: -0.003
local terms energy: -67.640903
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -111.932745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.932745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.932745 (E_RNA)
where:
Base-Base interactions energy: -51.847
where: short stacking energy: -38.383
Base-Backbone interact. energy: -0.206
local terms energy: -59.879178
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -104.608313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.608313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.608313 (E_RNA)
where:
Base-Base interactions energy: -51.395
where: short stacking energy: -34.103
Base-Backbone interact. energy: 0.223
local terms energy: -53.436639
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -85.519100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.519100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.519100 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -27.487
Base-Backbone interact. energy: -0.003
local terms energy: -49.184064
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -81.258370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.258370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.258370 (E_RNA)
where:
Base-Base interactions energy: -27.181
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.226
local terms energy: -53.851308
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -8.899
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: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -227.398971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.398971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.398971 (E_RNA)
where:
Base-Base interactions energy: -146.280
where: short stacking energy: -79.352
Base-Backbone interact. energy: 1.385
local terms energy: -82.503593
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -9.830
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: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -221.265864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.265864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.265864 (E_RNA)
where:
Base-Base interactions energy: -141.850
where: short stacking energy: -78.329
Base-Backbone interact. energy: -0.019
local terms energy: -79.396715
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -24.558
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: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -217.431324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.431324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.431324 (E_RNA)
where:
Base-Base interactions energy: -130.977
where: short stacking energy: -73.671
Base-Backbone interact. energy: -0.037
local terms energy: -86.417118
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -23.808
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: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -200.765326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.765326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.765326 (E_RNA)
where:
Base-Base interactions energy: -125.629
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.105
local terms energy: -75.031096
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -14.074
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: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -199.024388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.024388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.024388 (E_RNA)
where:
Base-Base interactions energy: -126.584
where: short stacking energy: -65.354
Base-Backbone interact. energy: 0.766
local terms energy: -73.206208
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -146.874434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.874434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.874434 (E_RNA)
where:
Base-Base interactions energy: -84.650
where: short stacking energy: -60.103
Base-Backbone interact. energy: -0.228
local terms energy: -61.996813
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -109.837769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.837769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.837769 (E_RNA)
where:
Base-Base interactions energy: -53.330
where: short stacking energy: -37.949
Base-Backbone interact. energy: -0.302
local terms energy: -56.206044
where:
bonds (distance) C4'-P energy: -7.912
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -9.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -105.251308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.251308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.251308 (E_RNA)
where:
Base-Base interactions energy: -54.048
where: short stacking energy: -30.787
Base-Backbone interact. energy: -0.695
local terms energy: -50.508135
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -5.079
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -91.968549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.968549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.968549 (E_RNA)
where:
Base-Base interactions energy: -37.006
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.164
local terms energy: -54.799009
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -9.894
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: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -74.817264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.817264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.817264 (E_RNA)
where:
Base-Base interactions energy: -29.474
where: short stacking energy: -29.474
Base-Backbone interact. energy: -0.021
local terms energy: -45.322564
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: 1.012
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: 1, replica: 10
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -214.205359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.205359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.205359 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -75.109
Base-Backbone interact. energy: -0.006
local terms energy: -76.657745
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -210.233010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.233010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.233010 (E_RNA)
where:
Base-Base interactions energy: -133.666
where: short stacking energy: -72.228
Base-Backbone interact. energy: -0.000
local terms energy: -76.566558
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -227.567176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.567176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.567176 (E_RNA)
where:
Base-Base interactions energy: -139.361
where: short stacking energy: -78.451
Base-Backbone interact. energy: 0.189
local terms energy: -88.395452
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -25.394
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: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -201.766399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.766399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.766399 (E_RNA)
where:
Base-Base interactions energy: -133.356
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.103
local terms energy: -68.307820
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -15.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -187.930494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.930494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.930494 (E_RNA)
where:
Base-Base interactions energy: -113.058
where: short stacking energy: -52.910
Base-Backbone interact. energy: -0.195
local terms energy: -74.678132
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -14.040
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -108.586961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.586961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.586961 (E_RNA)
where:
Base-Base interactions energy: -48.659
where: short stacking energy: -37.739
Base-Backbone interact. energy: -0.248
local terms energy: -59.680201
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -7.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -82.470696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.470696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.470696 (E_RNA)
where:
Base-Base interactions energy: -26.006
where: short stacking energy: -21.211
Base-Backbone interact. energy: 1.243
local terms energy: -57.707954
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -77.417840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.417840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.417840 (E_RNA)
where:
Base-Base interactions energy: -36.547
where: short stacking energy: -36.547
Base-Backbone interact. energy: -0.231
local terms energy: -40.639505
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -2.340
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -79.178217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178217 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -17.303
Base-Backbone interact. energy: -0.321
local terms energy: -56.843806
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -7.745
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: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -81.081317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.081317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.081317 (E_RNA)
where:
Base-Base interactions energy: -33.429
where: short stacking energy: -19.314
Base-Backbone interact. energy: -0.034
local terms energy: -47.618073
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -1.650
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: 10
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -218.244212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.244212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.244212 (E_RNA)
where:
Base-Base interactions energy: -132.650
where: short stacking energy: -68.491
Base-Backbone interact. energy: -0.047
local terms energy: -85.547648
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -11.736
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: 3
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -224.505683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.505683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.505683 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -76.501
Base-Backbone interact. energy: -0.086
local terms energy: -81.013576
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -204.377155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.377155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377155 (E_RNA)
where:
Base-Base interactions energy: -123.397
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.241
local terms energy: -80.738720
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -19.086
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: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -207.548967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.548967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.548967 (E_RNA)
where:
Base-Base interactions energy: -132.285
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.136
local terms energy: -75.127395
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -18.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -191.762849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.762849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.762849 (E_RNA)
where:
Base-Base interactions energy: -121.003
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.247
local terms energy: -70.513374
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -106.988030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.988030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.988030 (E_RNA)
where:
Base-Base interactions energy: -43.637
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.209
local terms energy: -63.142038
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -93.759598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.759598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.759598 (E_RNA)
where:
Base-Base interactions energy: -36.333
where: short stacking energy: -36.333
Base-Backbone interact. energy: 0.250
local terms energy: -57.676144
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -2.545
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: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -103.241775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.241775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.241775 (E_RNA)
where:
Base-Base interactions energy: -44.251
where: short stacking energy: -40.422
Base-Backbone interact. energy: -0.107
local terms energy: -58.883687
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -84.730791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.730791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.730791 (E_RNA)
where:
Base-Base interactions energy: -23.460
where: short stacking energy: -22.269
Base-Backbone interact. energy: -0.777
local terms energy: -60.493057
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -4.932
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: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -102.098206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.098206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.098206 (E_RNA)
where:
Base-Base interactions energy: -47.724
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.030
local terms energy: -54.343766
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -234.017688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.017688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.017688 (E_RNA)
where:
Base-Base interactions energy: -147.222
where: short stacking energy: -82.262
Base-Backbone interact. energy: -0.003
local terms energy: -86.793016
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -22.822
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: 10
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -211.234366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.234366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.234366 (E_RNA)
where:
Base-Base interactions energy: -134.712
where: short stacking energy: -69.568
Base-Backbone interact. energy: -0.025
local terms energy: -76.496814
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -13.949
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: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -200.915247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.915247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.915247 (E_RNA)
where:
Base-Base interactions energy: -131.218
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.065
local terms energy: -69.632641
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -205.826388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.826388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.826388 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.008
local terms energy: -71.434664
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -194.708136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.708136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.708136 (E_RNA)
where:
Base-Base interactions energy: -120.159
where: short stacking energy: -69.625
Base-Backbone interact. energy: -0.213
local terms energy: -74.335899
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -9.734
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: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -105.050438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.050438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.050438 (E_RNA)
where:
Base-Base interactions energy: -43.485
where: short stacking energy: -40.804
Base-Backbone interact. energy: -0.162
local terms energy: -61.403169
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -158.652719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.652719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.652719 (E_RNA)
where:
Base-Base interactions energy: -98.986
where: short stacking energy: -53.071
Base-Backbone interact. energy: -0.070
local terms energy: -59.596371
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -100.337124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.337124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.337124 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -42.511
Base-Backbone interact. energy: -0.052
local terms energy: -57.773988
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -89.930870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.930870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.930870 (E_RNA)
where:
Base-Base interactions energy: -31.440
where: short stacking energy: -29.917
Base-Backbone interact. energy: -0.027
local terms energy: -58.464481
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -91.107558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.107558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.107558 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -36.693
Base-Backbone interact. energy: -0.007
local terms energy: -54.406985
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -8.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -229.489557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.489557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.489557 (E_RNA)
where:
Base-Base interactions energy: -146.568
where: short stacking energy: -77.893
Base-Backbone interact. energy: -0.002
local terms energy: -82.919088
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -213.814949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.814949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.814949 (E_RNA)
where:
Base-Base interactions energy: -138.740
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.016
local terms energy: -75.059023
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.100
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: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -195.705901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.705901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.705901 (E_RNA)
where:
Base-Base interactions energy: -126.850
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.821
local terms energy: -68.035248
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -13.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -207.777044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.777044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.777044 (E_RNA)
where:
Base-Base interactions energy: -128.508
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.012
local terms energy: -79.256771
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -200.496034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.496034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.496034 (E_RNA)
where:
Base-Base interactions energy: -124.641
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.030
local terms energy: -75.825253
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -164.027515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.027515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.027515 (E_RNA)
where:
Base-Base interactions energy: -99.918
where: short stacking energy: -61.888
Base-Backbone interact. energy: -0.202
local terms energy: -63.907897
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -12.625
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: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -99.458915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.458915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.458915 (E_RNA)
where:
Base-Base interactions energy: -31.138
where: short stacking energy: -32.138
Base-Backbone interact. energy: -0.001
local terms energy: -68.320135
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -9.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -88.248285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.248285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.248285 (E_RNA)
where:
Base-Base interactions energy: -36.376
where: short stacking energy: -28.633
Base-Backbone interact. energy: -0.020
local terms energy: -51.852683
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -92.458635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.458635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.458635 (E_RNA)
where:
Base-Base interactions energy: -38.971
where: short stacking energy: -33.046
Base-Backbone interact. energy: -0.091
local terms energy: -53.397229
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -0.631
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -76.106401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.106401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.106401 (E_RNA)
where:
Base-Base interactions energy: -21.453
where: short stacking energy: -21.453
Base-Backbone interact. energy: -0.284
local terms energy: -54.368986
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -228.135647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.135647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.135647 (E_RNA)
where:
Base-Base interactions energy: -147.381
where: short stacking energy: -80.425
Base-Backbone interact. energy: -0.002
local terms energy: -80.752450
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -215.440085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.440085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.440085 (E_RNA)
where:
Base-Base interactions energy: -141.145
where: short stacking energy: -65.099
Base-Backbone interact. energy: -0.008
local terms energy: -74.287305
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.674
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: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -200.618620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.618620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.618620 (E_RNA)
where:
Base-Base interactions energy: -124.701
where: short stacking energy: -64.401
Base-Backbone interact. energy: -0.020
local terms energy: -75.897543
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -206.002489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.002489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.002489 (E_RNA)
where:
Base-Base interactions energy: -130.076
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.074
local terms energy: -75.852201
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -207.558712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.558712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.558712 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -75.705
Base-Backbone interact. energy: -0.002
local terms energy: -75.108597
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -20.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -202.338393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.338393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.338393 (E_RNA)
where:
Base-Base interactions energy: -134.217
where: short stacking energy: -73.367
Base-Backbone interact. energy: -0.026
local terms energy: -68.095203
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -104.232747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.232747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.232747 (E_RNA)
where:
Base-Base interactions energy: -45.176
where: short stacking energy: -31.315
Base-Backbone interact. energy: 0.092
local terms energy: -59.148454
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -94.350135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.350135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.350135 (E_RNA)
where:
Base-Base interactions energy: -41.134
where: short stacking energy: -41.134
Base-Backbone interact. energy: -0.042
local terms energy: -53.174594
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -6.383
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: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -85.891075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.891075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.891075 (E_RNA)
where:
Base-Base interactions energy: -34.568
where: short stacking energy: -32.889
Base-Backbone interact. energy: -0.215
local terms energy: -51.108074
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -8.252
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -4.610
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: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -74.452196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.452196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.452196 (E_RNA)
where:
Base-Base interactions energy: -32.410
where: short stacking energy: -30.329
Base-Backbone interact. energy: 0.237
local terms energy: -42.279036
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -1.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -228.931285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.931285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.931285 (E_RNA)
where:
Base-Base interactions energy: -144.547
where: short stacking energy: -86.572
Base-Backbone interact. energy: -0.101
local terms energy: -84.283658
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -24.370
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: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -221.312898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.312898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.312898 (E_RNA)
where:
Base-Base interactions energy: -137.467
where: short stacking energy: -73.853
Base-Backbone interact. energy: -0.063
local terms energy: -83.782714
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -197.461807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.461807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.461807 (E_RNA)
where:
Base-Base interactions energy: -124.958
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.449
local terms energy: -72.055129
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -208.661777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.661777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.661777 (E_RNA)
where:
Base-Base interactions energy: -131.391
where: short stacking energy: -70.073
Base-Backbone interact. energy: -0.051
local terms energy: -77.220418
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -13.684
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: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -185.007123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.007123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.007123 (E_RNA)
where:
Base-Base interactions energy: -111.015
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.002
local terms energy: -73.990317
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -191.215218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.215218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.215218 (E_RNA)
where:
Base-Base interactions energy: -122.685
where: short stacking energy: -65.765
Base-Backbone interact. energy: -0.001
local terms energy: -68.528519
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -8.658
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: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -102.382666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.382666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.382666 (E_RNA)
where:
Base-Base interactions energy: -48.439
where: short stacking energy: -31.606
Base-Backbone interact. energy: -0.272
local terms energy: -53.671621
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -95.242308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.242308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.242308 (E_RNA)
where:
Base-Base interactions energy: -45.631
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.001
local terms energy: -49.610126
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -9.977
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -8.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -84.402697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.402697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.402697 (E_RNA)
where:
Base-Base interactions energy: -28.919
where: short stacking energy: -25.078
Base-Backbone interact. energy: 1.746
local terms energy: -57.229216
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -93.278785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278785 (E_RNA)
where:
Base-Base interactions energy: -43.054
where: short stacking energy: -43.054
Base-Backbone interact. energy: -0.292
local terms energy: -49.932393
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -225.729285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.729285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.729285 (E_RNA)
where:
Base-Base interactions energy: -140.057
where: short stacking energy: -79.060
Base-Backbone interact. energy: -0.367
local terms energy: -85.305343
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -23.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -212.920210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.920210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.920210 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -73.275
Base-Backbone interact. energy: -0.094
local terms energy: -74.072719
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.736
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: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -215.993160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.993160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.993160 (E_RNA)
where:
Base-Base interactions energy: -137.737
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.575
local terms energy: -77.680810
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -22.475
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: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -199.615032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.615032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.615032 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -59.836
Base-Backbone interact. energy: -0.374
local terms energy: -73.776972
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -200.932202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.932202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.932202 (E_RNA)
where:
Base-Base interactions energy: -134.022
where: short stacking energy: -67.783
Base-Backbone interact. energy: 0.222
local terms energy: -67.132136
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -17.537
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: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -182.645069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.645069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.645069 (E_RNA)
where:
Base-Base interactions energy: -117.619
where: short stacking energy: -70.393
Base-Backbone interact. energy: -0.349
local terms energy: -64.677312
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -93.569636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.569636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.569636 (E_RNA)
where:
Base-Base interactions energy: -43.262
where: short stacking energy: -39.166
Base-Backbone interact. energy: 0.162
local terms energy: -50.470024
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -92.033338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.033338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.033338 (E_RNA)
where:
Base-Base interactions energy: -40.526
where: short stacking energy: -26.089
Base-Backbone interact. energy: -0.300
local terms energy: -51.207708
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -83.724575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.724575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.724575 (E_RNA)
where:
Base-Base interactions energy: -29.575
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.069
local terms energy: -54.081108
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -89.093189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.093189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.093189 (E_RNA)
where:
Base-Base interactions energy: -30.641
where: short stacking energy: -30.641
Base-Backbone interact. energy: -0.103
local terms energy: -58.349201
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -5.467
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -224.553328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.553328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.553328 (E_RNA)
where:
Base-Base interactions energy: -138.094
where: short stacking energy: -69.728
Base-Backbone interact. energy: -0.575
local terms energy: -85.883941
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -215.285814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.285814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.285814 (E_RNA)
where:
Base-Base interactions energy: -138.348
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.001
local terms energy: -76.936717
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -213.467011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.467011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.467011 (E_RNA)
where:
Base-Base interactions energy: -130.176
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.242
local terms energy: -83.048973
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -13.313
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: 4, replica: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -208.160758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.160758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.160758 (E_RNA)
where:
Base-Base interactions energy: -132.979
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.055
local terms energy: -75.125982
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -199.657216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.657216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.657216 (E_RNA)
where:
Base-Base interactions energy: -126.291
where: short stacking energy: -64.651
Base-Backbone interact. energy: -0.262
local terms energy: -73.104826
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -192.301784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.301784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.301784 (E_RNA)
where:
Base-Base interactions energy: -117.543
where: short stacking energy: -60.516
Base-Backbone interact. energy: -0.006
local terms energy: -74.753281
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -105.250798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.250798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.250798 (E_RNA)
where:
Base-Base interactions energy: -39.923
where: short stacking energy: -37.065
Base-Backbone interact. energy: -0.112
local terms energy: -65.215871
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -12.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -88.450758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.450758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.450758 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -34.340
Base-Backbone interact. energy: -0.066
local terms energy: -54.045057
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -95.388382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.388382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.388382 (E_RNA)
where:
Base-Base interactions energy: -45.721
where: short stacking energy: -45.721
Base-Backbone interact. energy: -0.018
local terms energy: -49.649472
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -2.933
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: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -79.057512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.057512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.057512 (E_RNA)
where:
Base-Base interactions energy: -35.863
where: short stacking energy: -23.248
Base-Backbone interact. energy: -0.468
local terms energy: -42.726585
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: 3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -228.196504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.196504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.196504 (E_RNA)
where:
Base-Base interactions energy: -144.629
where: short stacking energy: -82.546
Base-Backbone interact. energy: -0.014
local terms energy: -83.553386
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -226.744022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.744022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.744022 (E_RNA)
where:
Base-Base interactions energy: -148.721
where: short stacking energy: -82.821
Base-Backbone interact. energy: -0.124
local terms energy: -77.899266
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -224.257053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.257053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.257053 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.001
local terms energy: -83.667559
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -204.522521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.522521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.522521 (E_RNA)
where:
Base-Base interactions energy: -129.562
where: short stacking energy: -71.591
Base-Backbone interact. energy: -0.000
local terms energy: -74.960458
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.618
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: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -188.442121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.442121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.442121 (E_RNA)
where:
Base-Base interactions energy: -114.824
where: short stacking energy: -55.414
Base-Backbone interact. energy: -0.211
local terms energy: -73.407016
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -162.129666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.129666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.129666 (E_RNA)
where:
Base-Base interactions energy: -109.346
where: short stacking energy: -47.259
Base-Backbone interact. energy: -0.202
local terms energy: -52.581093
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -100.244208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.244208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.244208 (E_RNA)
where:
Base-Base interactions energy: -38.526
where: short stacking energy: -38.526
Base-Backbone interact. energy: -0.095
local terms energy: -61.622930
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -96.759852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.759852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.759852 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -41.883
Base-Backbone interact. energy: -0.079
local terms energy: -54.797330
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -91.263368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.263368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.263368 (E_RNA)
where:
Base-Base interactions energy: -35.773
where: short stacking energy: -35.118
Base-Backbone interact. energy: 1.188
local terms energy: -56.678488
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -6.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -77.431218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.431218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.431218 (E_RNA)
where:
Base-Base interactions energy: -26.647
where: short stacking energy: -26.647
Base-Backbone interact. energy: -0.215
local terms energy: -50.569252
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -225.483168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.483168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.483168 (E_RNA)
where:
Base-Base interactions energy: -146.378
where: short stacking energy: -81.511
Base-Backbone interact. energy: -0.317
local terms energy: -78.787412
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -24.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -229.415648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.415648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.415648 (E_RNA)
where:
Base-Base interactions energy: -142.999
where: short stacking energy: -83.030
Base-Backbone interact. energy: -0.000
local terms energy: -86.416426
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -22.330
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: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -224.128636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.128636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.128636 (E_RNA)
where:
Base-Base interactions energy: -145.978
where: short stacking energy: -84.659
Base-Backbone interact. energy: -0.014
local terms energy: -78.136768
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -24.339
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: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -194.125467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.125467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.125467 (E_RNA)
where:
Base-Base interactions energy: -119.956
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.017
local terms energy: -74.152788
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -195.020322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.020322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.020322 (E_RNA)
where:
Base-Base interactions energy: -125.463
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.019
local terms energy: -69.538534
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -201.058782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.058782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.058782 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.026
local terms energy: -72.432652
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -7.460
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: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -94.850714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.850714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.850714 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -33.586
Base-Backbone interact. energy: -0.568
local terms energy: -60.696204
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -7.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -97.176659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.176659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.176659 (E_RNA)
where:
Base-Base interactions energy: -34.497
where: short stacking energy: -27.323
Base-Backbone interact. energy: 0.797
local terms energy: -63.476629
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -96.080187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.080187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.080187 (E_RNA)
where:
Base-Base interactions energy: -45.235
where: short stacking energy: -45.235
Base-Backbone interact. energy: -0.007
local terms energy: -50.837246
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -7.663
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: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -78.804730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.804730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.804730 (E_RNA)
where:
Base-Base interactions energy: -23.260
where: short stacking energy: -22.136
Base-Backbone interact. energy: -0.179
local terms energy: -55.365855
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -229.618900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.618900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.618900 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -78.742
Base-Backbone interact. energy: -0.053
local terms energy: -86.222741
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -231.613513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.613513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.613513 (E_RNA)
where:
Base-Base interactions energy: -151.995
where: short stacking energy: -83.690
Base-Backbone interact. energy: 0.646
local terms energy: -80.263786
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -25.144
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: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -220.536272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.536272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.536272 (E_RNA)
where:
Base-Base interactions energy: -139.061
where: short stacking energy: -76.577
Base-Backbone interact. energy: -0.001
local terms energy: -81.473976
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -208.288591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.288591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.288591 (E_RNA)
where:
Base-Base interactions energy: -128.988
where: short stacking energy: -67.002
Base-Backbone interact. energy: -0.645
local terms energy: -78.655546
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -197.809291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.809291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.809291 (E_RNA)
where:
Base-Base interactions energy: -124.409
where: short stacking energy: -60.676
Base-Backbone interact. energy: 0.717
local terms energy: -74.117194
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -173.335040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335040 (E_RNA)
where:
Base-Base interactions energy: -106.624
where: short stacking energy: -55.056
Base-Backbone interact. energy: -0.116
local terms energy: -66.595755
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -106.933163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.933163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.933163 (E_RNA)
where:
Base-Base interactions energy: -54.936
where: short stacking energy: -33.875
Base-Backbone interact. energy: -0.470
local terms energy: -51.527163
where:
bonds (distance) C4'-P energy: -14.668
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -10.067
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: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -100.529102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.529102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.529102 (E_RNA)
where:
Base-Base interactions energy: -35.322
where: short stacking energy: -35.522
Base-Backbone interact. energy: 0.643
local terms energy: -65.849527
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -85.911330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.911330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.911330 (E_RNA)
where:
Base-Base interactions energy: -37.573
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.007
local terms energy: -48.331647
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -7.515
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: 10, replica: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -85.823499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.823499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.823499 (E_RNA)
where:
Base-Base interactions energy: -37.164
where: short stacking energy: -29.291
Base-Backbone interact. energy: 1.341
local terms energy: -50.000774
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -2.806
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -224.597445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.597445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.597445 (E_RNA)
where:
Base-Base interactions energy: -141.691
where: short stacking energy: -81.482
Base-Backbone interact. energy: -0.013
local terms energy: -82.893128
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -23.880
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: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -231.729285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.729285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.729285 (E_RNA)
where:
Base-Base interactions energy: -149.447
where: short stacking energy: -83.028
Base-Backbone interact. energy: -0.006
local terms energy: -82.276473
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -14.270
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: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -227.335883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.335883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.335883 (E_RNA)
where:
Base-Base interactions energy: -138.662
where: short stacking energy: -76.651
Base-Backbone interact. energy: 0.198
local terms energy: -88.871529
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -11.036
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: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -198.505222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.505222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.505222 (E_RNA)
where:
Base-Base interactions energy: -126.184
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.207
local terms energy: -72.113367
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.355
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: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -193.879587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.879587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.879587 (E_RNA)
where:
Base-Base interactions energy: -127.411
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.073
local terms energy: -66.395429
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -182.737133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.737133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.737133 (E_RNA)
where:
Base-Base interactions energy: -123.624
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.168
local terms energy: -58.944905
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -18.222
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -9.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -99.410567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.410567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.410567 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -32.756
Base-Backbone interact. energy: -0.093
local terms energy: -66.561430
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -110.766259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.766259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.766259 (E_RNA)
where:
Base-Base interactions energy: -54.912
where: short stacking energy: -36.806
Base-Backbone interact. energy: -0.009
local terms energy: -55.844625
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -85.790316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.790316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.790316 (E_RNA)
where:
Base-Base interactions energy: -29.285
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.083
local terms energy: -56.422920
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -84.427327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.427327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.427327 (E_RNA)
where:
Base-Base interactions energy: -36.379
where: short stacking energy: -24.713
Base-Backbone interact. energy: 0.094
local terms energy: -48.142270
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: 0.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -233.731217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.731217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.731217 (E_RNA)
where:
Base-Base interactions energy: -148.600
where: short stacking energy: -83.540
Base-Backbone interact. energy: -0.003
local terms energy: -85.128534
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -23.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -228.784188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.784188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.784188 (E_RNA)
where:
Base-Base interactions energy: -149.939
where: short stacking energy: -83.057
Base-Backbone interact. energy: -0.294
local terms energy: -78.551046
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -23.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -211.990309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990309 (E_RNA)
where:
Base-Base interactions energy: -136.712
where: short stacking energy: -68.952
Base-Backbone interact. energy: -0.049
local terms energy: -75.229477
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -207.900137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.900137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.900137 (E_RNA)
where:
Base-Base interactions energy: -132.561
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.238
local terms energy: -75.100546
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -202.528296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.528296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.528296 (E_RNA)
where:
Base-Base interactions energy: -131.206
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.003
local terms energy: -71.319886
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -176.951467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.951467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.951467 (E_RNA)
where:
Base-Base interactions energy: -114.043
where: short stacking energy: -51.415
Base-Backbone interact. energy: -0.094
local terms energy: -62.813898
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -13.082
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: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -89.147642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.147642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.147642 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -28.579
Base-Backbone interact. energy: -0.381
local terms energy: -60.188457
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -18.109
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -99.653813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.653813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.653813 (E_RNA)
where:
Base-Base interactions energy: -46.963
where: short stacking energy: -33.795
Base-Backbone interact. energy: -0.112
local terms energy: -52.579135
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -6.847
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: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -100.854231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.854231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.854231 (E_RNA)
where:
Base-Base interactions energy: -49.428
where: short stacking energy: -37.519
Base-Backbone interact. energy: 1.442
local terms energy: -52.868617
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -8.596
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -89.215336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.215336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.215336 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -28.368
Base-Backbone interact. energy: -0.599
local terms energy: -57.707964
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -6.269
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: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -237.088019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.088019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.088019 (E_RNA)
where:
Base-Base interactions energy: -148.212
where: short stacking energy: -81.992
Base-Backbone interact. energy: -0.011
local terms energy: -88.864143
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -24.845
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: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -224.008647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.008647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.008647 (E_RNA)
where:
Base-Base interactions energy: -142.513
where: short stacking energy: -81.374
Base-Backbone interact. energy: 1.543
local terms energy: -83.039358
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -212.832932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.832932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.832932 (E_RNA)
where:
Base-Base interactions energy: -132.722
where: short stacking energy: -69.329
Base-Backbone interact. energy: -0.028
local terms energy: -80.082184
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -22.039
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: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -202.809344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.809344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.809344 (E_RNA)
where:
Base-Base interactions energy: -123.717
where: short stacking energy: -63.423
Base-Backbone interact. energy: -1.344
local terms energy: -77.748227
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -14.365
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: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -190.325688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.325688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.325688 (E_RNA)
where:
Base-Base interactions energy: -121.068
where: short stacking energy: -64.863
Base-Backbone interact. energy: -1.010
local terms energy: -68.247254
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -178.777985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.777985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.777985 (E_RNA)
where:
Base-Base interactions energy: -106.138
where: short stacking energy: -57.985
Base-Backbone interact. energy: 0.493
local terms energy: -73.133144
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -12.345
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: 7, replica: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -95.707632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.707632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.707632 (E_RNA)
where:
Base-Base interactions energy: -37.752
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.076
local terms energy: -57.879404
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -8.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -100.666147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.666147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.666147 (E_RNA)
where:
Base-Base interactions energy: -48.219
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.056
local terms energy: -52.391312
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -94.519235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.519235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.519235 (E_RNA)
where:
Base-Base interactions energy: -45.729
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.205
local terms energy: -48.585260
where:
bonds (distance) C4'-P energy: -8.380
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -8.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -79.141756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141756 (E_RNA)
where:
Base-Base interactions energy: -25.211
where: short stacking energy: -24.559
Base-Backbone interact. energy: -0.037
local terms energy: -53.894206
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -238.028492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.028492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.028492 (E_RNA)
where:
Base-Base interactions energy: -152.395
where: short stacking energy: -85.877
Base-Backbone interact. energy: -0.017
local terms energy: -85.615919
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -227.793743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.793743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.793743 (E_RNA)
where:
Base-Base interactions energy: -145.937
where: short stacking energy: -83.172
Base-Backbone interact. energy: -0.001
local terms energy: -81.856044
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -23.950
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: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -210.145920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.145920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.145920 (E_RNA)
where:
Base-Base interactions energy: -130.888
where: short stacking energy: -64.165
Base-Backbone interact. energy: 3.343
local terms energy: -82.600102
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -21.013
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: 372
Temperature: 1.050000
Total energy: -208.937084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.937084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.937084 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -74.315
Base-Backbone interact. energy: -0.030
local terms energy: -76.830348
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -19.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -196.257823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.257823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.257823 (E_RNA)
where:
Base-Base interactions energy: -129.940
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.001
local terms energy: -66.317750
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -2.026
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: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -180.628560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.628560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.628560 (E_RNA)
where:
Base-Base interactions energy: -107.320
where: short stacking energy: -53.775
Base-Backbone interact. energy: -0.325
local terms energy: -72.983749
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -19.099
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: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -99.804659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.804659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.804659 (E_RNA)
where:
Base-Base interactions energy: -46.558
where: short stacking energy: -46.324
Base-Backbone interact. energy: 1.790
local terms energy: -55.036972
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -6.205
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: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -89.707581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.707581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.707581 (E_RNA)
where:
Base-Base interactions energy: -32.409
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.182
local terms energy: -57.116244
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -4.112
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: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -82.525660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.525660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.525660 (E_RNA)
where:
Base-Base interactions energy: -26.632
where: short stacking energy: -20.215
Base-Backbone interact. energy: -0.548
local terms energy: -55.345458
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -99.622181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.622181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.622181 (E_RNA)
where:
Base-Base interactions energy: -41.627
where: short stacking energy: -41.627
Base-Backbone interact. energy: 1.428
local terms energy: -59.422833
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -10.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -228.511823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.511823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.511823 (E_RNA)
where:
Base-Base interactions energy: -140.597
where: short stacking energy: -76.637
Base-Backbone interact. energy: -0.034
local terms energy: -87.881346
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -23.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -234.002152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.002152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.002152 (E_RNA)
where:
Base-Base interactions energy: -147.915
where: short stacking energy: -83.547
Base-Backbone interact. energy: -0.111
local terms energy: -85.976385
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -219.380842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.380842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.380842 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -79.598
Base-Backbone interact. energy: -0.001
local terms energy: -80.579364
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -22.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -207.454133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.454133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.454133 (E_RNA)
where:
Base-Base interactions energy: -128.702
where: short stacking energy: -69.127
Base-Backbone interact. energy: 1.749
local terms energy: -80.501444
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -23.951
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: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -184.594621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.594621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.594621 (E_RNA)
where:
Base-Base interactions energy: -109.376
where: short stacking energy: -58.071
Base-Backbone interact. energy: -0.044
local terms energy: -75.174378
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -18.863
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: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -194.457510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.457510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.457510 (E_RNA)
where:
Base-Base interactions energy: -119.209
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.811
local terms energy: -74.437216
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -102.147268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147268 (E_RNA)
where:
Base-Base interactions energy: -42.731
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.158
local terms energy: -59.258495
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -89.921667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.921667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.921667 (E_RNA)
where:
Base-Base interactions energy: -36.948
where: short stacking energy: -36.948
Base-Backbone interact. energy: -0.080
local terms energy: -52.893827
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -89.253074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.253074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.253074 (E_RNA)
where:
Base-Base interactions energy: -32.755
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.165
local terms energy: -56.333407
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -6.408
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: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -78.354286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.354286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.354286 (E_RNA)
where:
Base-Base interactions energy: -25.017
where: short stacking energy: -25.017
Base-Backbone interact. energy: -0.166
local terms energy: -53.171515
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -229.564340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.564340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.564340 (E_RNA)
where:
Base-Base interactions energy: -145.944
where: short stacking energy: -78.806
Base-Backbone interact. energy: -0.025
local terms energy: -83.595682
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -218.298742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.298742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.298742 (E_RNA)
where:
Base-Base interactions energy: -136.632
where: short stacking energy: -79.213
Base-Backbone interact. energy: -0.013
local terms energy: -81.653967
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -223.431833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.431833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.431833 (E_RNA)
where:
Base-Base interactions energy: -143.543
where: short stacking energy: -78.614
Base-Backbone interact. energy: 0.117
local terms energy: -80.005434
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -13.255
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: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -208.416957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.416957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.416957 (E_RNA)
where:
Base-Base interactions energy: -130.688
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.223
local terms energy: -77.506016
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -202.443236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.443236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.443236 (E_RNA)
where:
Base-Base interactions energy: -128.451
where: short stacking energy: -67.299
Base-Backbone interact. energy: -0.918
local terms energy: -73.073961
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -8.300
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: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -159.267954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.267954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.267954 (E_RNA)
where:
Base-Base interactions energy: -97.855
where: short stacking energy: -52.625
Base-Backbone interact. energy: 0.524
local terms energy: -61.936860
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -97.767896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.767896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.767896 (E_RNA)
where:
Base-Base interactions energy: -40.529
where: short stacking energy: -34.566
Base-Backbone interact. energy: -0.032
local terms energy: -57.207296
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -87.336306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.336306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.336306 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.171
local terms energy: -54.140011
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -85.128991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128991 (E_RNA)
where:
Base-Base interactions energy: -41.182
where: short stacking energy: -41.182
Base-Backbone interact. energy: 1.404
local terms energy: -45.350567
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -79.395976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.395976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.395976 (E_RNA)
where:
Base-Base interactions energy: -36.935
where: short stacking energy: -30.476
Base-Backbone interact. energy: 0.840
local terms energy: -43.300274
where:
bonds (distance) C4'-P energy: -5.576
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -232.139767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.139767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.139767 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -77.386
Base-Backbone interact. energy: -0.059
local terms energy: -87.466980
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -22.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -211.153582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.153582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.153582 (E_RNA)
where:
Base-Base interactions energy: -132.505
where: short stacking energy: -79.227
Base-Backbone interact. energy: -0.000
local terms energy: -78.648811
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -218.726242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.726242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.726242 (E_RNA)
where:
Base-Base interactions energy: -138.274
where: short stacking energy: -72.257
Base-Backbone interact. energy: -0.048
local terms energy: -80.404520
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -194.973897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.973897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.973897 (E_RNA)
where:
Base-Base interactions energy: -121.761
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.073
local terms energy: -73.139891
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -197.731396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.731396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.731396 (E_RNA)
where:
Base-Base interactions energy: -121.146
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.252
local terms energy: -76.332415
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.320
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: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -186.215065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.215065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.215065 (E_RNA)
where:
Base-Base interactions energy: -114.564
where: short stacking energy: -59.466
Base-Backbone interact. energy: -0.005
local terms energy: -71.646155
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -17.557
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: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -94.546899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.546899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.546899 (E_RNA)
where:
Base-Base interactions energy: -36.429
where: short stacking energy: -33.451
Base-Backbone interact. energy: -0.189
local terms energy: -57.929340
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -93.175332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.175332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.175332 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.039
local terms energy: -50.633994
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -110.215813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.215813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.215813 (E_RNA)
where:
Base-Base interactions energy: -56.599
where: short stacking energy: -38.754
Base-Backbone interact. energy: -0.227
local terms energy: -53.389589
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -6.646
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: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -76.942767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.942767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.942767 (E_RNA)
where:
Base-Base interactions energy: -25.426
where: short stacking energy: -25.426
Base-Backbone interact. energy: 0.064
local terms energy: -51.580446
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -224.547130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.547130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547130 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -77.944
Base-Backbone interact. energy: -0.004
local terms energy: -81.500415
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -24.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -223.340279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.340279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.340279 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -81.855
Base-Backbone interact. energy: -0.027
local terms energy: -82.010198
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -225.657434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.657434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.657434 (E_RNA)
where:
Base-Base interactions energy: -142.536
where: short stacking energy: -87.937
Base-Backbone interact. energy: -0.005
local terms energy: -83.116625
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -24.084
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: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -196.228403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.228403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.228403 (E_RNA)
where:
Base-Base interactions energy: -118.363
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.435
local terms energy: -77.430871
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -189.314475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.314475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.314475 (E_RNA)
where:
Base-Base interactions energy: -111.003
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.622
local terms energy: -77.689770
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -196.827618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.827618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.827618 (E_RNA)
where:
Base-Base interactions energy: -122.472
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.102
local terms energy: -74.253644
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -21.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -104.140424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.140424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.140424 (E_RNA)
where:
Base-Base interactions energy: -49.123
where: short stacking energy: -49.123
Base-Backbone interact. energy: -0.078
local terms energy: -54.939723
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -90.040865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.040865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.040865 (E_RNA)
where:
Base-Base interactions energy: -29.377
where: short stacking energy: -29.377
Base-Backbone interact. energy: -0.291
local terms energy: -60.372918
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -99.916592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.916592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.916592 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -32.291
Base-Backbone interact. energy: -0.107
local terms energy: -67.518630
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -90.481637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.481637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.481637 (E_RNA)
where:
Base-Base interactions energy: -39.310
where: short stacking energy: -25.297
Base-Backbone interact. energy: -1.141
local terms energy: -50.030442
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -226.444281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.444281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.444281 (E_RNA)
where:
Base-Base interactions energy: -145.710
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.726
local terms energy: -80.008105
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -20.036
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: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -228.582064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.582064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.582064 (E_RNA)
where:
Base-Base interactions energy: -143.823
where: short stacking energy: -78.120
Base-Backbone interact. energy: -0.178
local terms energy: -84.580390
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -211.097988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.097988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.097988 (E_RNA)
where:
Base-Base interactions energy: -130.734
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.050
local terms energy: -80.314008
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -18.617
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: 10
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -206.038531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.038531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.038531 (E_RNA)
where:
Base-Base interactions energy: -132.131
where: short stacking energy: -74.798
Base-Backbone interact. energy: -0.317
local terms energy: -73.590330
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -191.183415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.183415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.183415 (E_RNA)
where:
Base-Base interactions energy: -122.196
where: short stacking energy: -53.880
Base-Backbone interact. energy: -0.105
local terms energy: -68.882281
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -13.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -183.820179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.820179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.820179 (E_RNA)
where:
Base-Base interactions energy: -110.283
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.028
local terms energy: -73.508960
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -9.115
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: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -100.972760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.972760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.972760 (E_RNA)
where:
Base-Base interactions energy: -41.121
where: short stacking energy: -41.121
Base-Backbone interact. energy: -0.024
local terms energy: -59.827588
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -101.799456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.799456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.799456 (E_RNA)
where:
Base-Base interactions energy: -51.781
where: short stacking energy: -36.005
Base-Backbone interact. energy: 0.063
local terms energy: -50.081394
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -5.898
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -80.698363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698363 (E_RNA)
where:
Base-Base interactions energy: -22.247
where: short stacking energy: -22.247
Base-Backbone interact. energy: -0.085
local terms energy: -58.366280
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -81.183409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.183409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.183409 (E_RNA)
where:
Base-Base interactions energy: -31.597
where: short stacking energy: -31.597
Base-Backbone interact. energy: -0.291
local terms energy: -49.295614
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -236.644353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.644353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.644353 (E_RNA)
where:
Base-Base interactions energy: -148.398
where: short stacking energy: -86.356
Base-Backbone interact. energy: -0.004
local terms energy: -88.242247
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -24.515
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: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -217.000725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.000725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.000725 (E_RNA)
where:
Base-Base interactions energy: -135.682
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.035
local terms energy: -81.283318
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -208.123315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.123315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.123315 (E_RNA)
where:
Base-Base interactions energy: -132.304
where: short stacking energy: -70.579
Base-Backbone interact. energy: -0.005
local terms energy: -75.814861
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -10.826
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: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -214.193086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.193086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.193086 (E_RNA)
where:
Base-Base interactions energy: -135.996
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.013
local terms energy: -78.184528
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -18.001
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: 9
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -194.026405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.026405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.026405 (E_RNA)
where:
Base-Base interactions energy: -121.443
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.037
local terms energy: -72.546899
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -13.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -184.329788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.329788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.329788 (E_RNA)
where:
Base-Base interactions energy: -114.464
where: short stacking energy: -63.383
Base-Backbone interact. energy: -0.009
local terms energy: -69.857215
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -94.614227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.614227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.614227 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -36.949
Base-Backbone interact. energy: -0.069
local terms energy: -57.595916
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -85.864599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.864599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.864599 (E_RNA)
where:
Base-Base interactions energy: -29.504
where: short stacking energy: -29.504
Base-Backbone interact. energy: -0.190
local terms energy: -56.170200
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -3.684
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: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -82.720185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.720185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.720185 (E_RNA)
where:
Base-Base interactions energy: -28.943
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.571
local terms energy: -53.207022
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -79.035972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.035972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.035972 (E_RNA)
where:
Base-Base interactions energy: -26.380
where: short stacking energy: -22.620
Base-Backbone interact. energy: 1.025
local terms energy: -53.680777
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -223.202095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.202095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.202095 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -71.053
Base-Backbone interact. energy: -0.001
local terms energy: -81.127836
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -220.157746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.157746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157746 (E_RNA)
where:
Base-Base interactions energy: -140.793
where: short stacking energy: -76.869
Base-Backbone interact. energy: -0.005
local terms energy: -79.359808
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -205.379083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.379083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.379083 (E_RNA)
where:
Base-Base interactions energy: -131.321
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.419
local terms energy: -73.638481
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -212.045090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.045090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.045090 (E_RNA)
where:
Base-Base interactions energy: -133.662
where: short stacking energy: -67.263
Base-Backbone interact. energy: -0.047
local terms energy: -78.336565
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -205.340886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.340886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.340886 (E_RNA)
where:
Base-Base interactions energy: -134.271
where: short stacking energy: -74.904
Base-Backbone interact. energy: -0.122
local terms energy: -70.947693
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -158.729499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.729499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.729499 (E_RNA)
where:
Base-Base interactions energy: -100.550
where: short stacking energy: -47.514
Base-Backbone interact. energy: -0.233
local terms energy: -57.946369
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -8.520
flat angles P-C4'-P energy: -11.800
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: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -92.447781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.447781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.447781 (E_RNA)
where:
Base-Base interactions energy: -41.211
where: short stacking energy: -38.004
Base-Backbone interact. energy: -0.130
local terms energy: -51.107562
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -87.669759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.669759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.669759 (E_RNA)
where:
Base-Base interactions energy: -29.622
where: short stacking energy: -28.254
Base-Backbone interact. energy: -0.414
local terms energy: -57.633821
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -92.091515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.091515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.091515 (E_RNA)
where:
Base-Base interactions energy: -38.750
where: short stacking energy: -38.750
Base-Backbone interact. energy: -0.157
local terms energy: -53.185180
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -13.151
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: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -81.620404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.620404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.620404 (E_RNA)
where:
Base-Base interactions energy: -23.112
where: short stacking energy: -23.112
Base-Backbone interact. energy: -0.109
local terms energy: -58.398545
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -10.257
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -220.047323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.047323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.047323 (E_RNA)
where:
Base-Base interactions energy: -139.789
where: short stacking energy: -71.441
Base-Backbone interact. energy: -0.111
local terms energy: -80.147267
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -13.173
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: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -218.264971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264971 (E_RNA)
where:
Base-Base interactions energy: -129.494
where: short stacking energy: -71.802
Base-Backbone interact. energy: -0.016
local terms energy: -88.755417
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -22.658
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -220.004509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.004509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.004509 (E_RNA)
where:
Base-Base interactions energy: -134.377
where: short stacking energy: -67.652
Base-Backbone interact. energy: -0.031
local terms energy: -85.596209
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -21.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -211.663805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.663805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.663805 (E_RNA)
where:
Base-Base interactions energy: -134.763
where: short stacking energy: -77.683
Base-Backbone interact. energy: -0.304
local terms energy: -76.596671
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -23.940
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: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -207.415750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.415750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.415750 (E_RNA)
where:
Base-Base interactions energy: -128.808
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.007
local terms energy: -78.600842
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -177.329426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.329426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.329426 (E_RNA)
where:
Base-Base interactions energy: -114.709
where: short stacking energy: -52.726
Base-Backbone interact. energy: -0.098
local terms energy: -62.522602
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -92.471552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.471552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.471552 (E_RNA)
where:
Base-Base interactions energy: -37.604
where: short stacking energy: -37.604
Base-Backbone interact. energy: -0.168
local terms energy: -54.699952
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -9.828
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: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -94.624952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.624952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.624952 (E_RNA)
where:
Base-Base interactions energy: -51.569
where: short stacking energy: -30.676
Base-Backbone interact. energy: -0.120
local terms energy: -42.936496
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -88.300437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.300437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.300437 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -28.347
Base-Backbone interact. energy: -0.711
local terms energy: -49.277477
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -85.907232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.907232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.907232 (E_RNA)
where:
Base-Base interactions energy: -36.647
where: short stacking energy: -23.592
Base-Backbone interact. energy: -0.133
local terms energy: -49.128082
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -225.123445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.123445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.123445 (E_RNA)
where:
Base-Base interactions energy: -149.167
where: short stacking energy: -76.314
Base-Backbone interact. energy: -0.122
local terms energy: -75.834332
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -223.580573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.580573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.580573 (E_RNA)
where:
Base-Base interactions energy: -139.638
where: short stacking energy: -77.793
Base-Backbone interact. energy: -0.015
local terms energy: -83.927228
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -22.822
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: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -215.451706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.451706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.451706 (E_RNA)
where:
Base-Base interactions energy: -128.872
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.017
local terms energy: -86.563147
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -208.539622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.539622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.539622 (E_RNA)
where:
Base-Base interactions energy: -138.122
where: short stacking energy: -73.934
Base-Backbone interact. energy: -0.012
local terms energy: -70.405881
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -210.872907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.872907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.872907 (E_RNA)
where:
Base-Base interactions energy: -135.934
where: short stacking energy: -68.417
Base-Backbone interact. energy: -0.091
local terms energy: -74.847496
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -180.405862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.405862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.405862 (E_RNA)
where:
Base-Base interactions energy: -111.078
where: short stacking energy: -56.009
Base-Backbone interact. energy: -0.133
local terms energy: -69.194792
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -95.244186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.244186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.244186 (E_RNA)
where:
Base-Base interactions energy: -28.674
where: short stacking energy: -28.674
Base-Backbone interact. energy: -0.005
local terms energy: -66.566033
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -82.136880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136880 (E_RNA)
where:
Base-Base interactions energy: -32.727
where: short stacking energy: -32.727
Base-Backbone interact. energy: -0.166
local terms energy: -49.243802
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -1.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -83.215425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.215425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.215425 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -28.111
Base-Backbone interact. energy: -0.045
local terms energy: -46.870146
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -1.584
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: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -80.587873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.587873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.587873 (E_RNA)
where:
Base-Base interactions energy: -25.803
where: short stacking energy: -25.803
Base-Backbone interact. energy: -0.101
local terms energy: -54.683495
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -5.112
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: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -221.082688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.082688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.082688 (E_RNA)
where:
Base-Base interactions energy: -145.228
where: short stacking energy: -80.934
Base-Backbone interact. energy: -0.047
local terms energy: -75.807857
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -218.677975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.677975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.677975 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.015
local terms energy: -82.277724
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -216.697095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.697095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.697095 (E_RNA)
where:
Base-Base interactions energy: -133.472
where: short stacking energy: -70.082
Base-Backbone interact. energy: -0.037
local terms energy: -83.188315
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -220.724408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.724408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.724408 (E_RNA)
where:
Base-Base interactions energy: -143.883
where: short stacking energy: -83.525
Base-Backbone interact. energy: -0.007
local terms energy: -76.834473
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -180.169845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.169845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.169845 (E_RNA)
where:
Base-Base interactions energy: -118.676
where: short stacking energy: -63.676
Base-Backbone interact. energy: -0.255
local terms energy: -61.238536
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -194.994104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.994104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.994104 (E_RNA)
where:
Base-Base interactions energy: -116.374
where: short stacking energy: -61.592
Base-Backbone interact. energy: -0.005
local terms energy: -78.614734
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -9.528
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: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -108.601936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.601936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.601936 (E_RNA)
where:
Base-Base interactions energy: -47.370
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.026
local terms energy: -61.206021
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -95.245689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.245689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.245689 (E_RNA)
where:
Base-Base interactions energy: -40.261
where: short stacking energy: -40.261
Base-Backbone interact. energy: 2.138
local terms energy: -57.122598
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -97.627903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.627903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.627903 (E_RNA)
where:
Base-Base interactions energy: -35.884
where: short stacking energy: -31.888
Base-Backbone interact. energy: -0.134
local terms energy: -61.609947
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -11.942
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: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -75.851269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.851269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.851269 (E_RNA)
where:
Base-Base interactions energy: -22.504
where: short stacking energy: -22.504
Base-Backbone interact. energy: -0.353
local terms energy: -52.993849
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -229.504230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.504230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.504230 (E_RNA)
where:
Base-Base interactions energy: -139.904
where: short stacking energy: -76.884
Base-Backbone interact. energy: -0.327
local terms energy: -89.273366
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -23.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -214.846096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.846096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.846096 (E_RNA)
where:
Base-Base interactions energy: -138.772
where: short stacking energy: -80.215
Base-Backbone interact. energy: -0.001
local terms energy: -76.073728
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -7.132
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: 3, replica: 10
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -209.942031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.942031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.942031 (E_RNA)
where:
Base-Base interactions energy: -128.531
where: short stacking energy: -70.404
Base-Backbone interact. energy: -0.042
local terms energy: -81.369818
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -12.472
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: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -201.330000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.330000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.330000 (E_RNA)
where:
Base-Base interactions energy: -132.024
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.227
local terms energy: -69.078923
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -14.534
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: 5, replica: 3
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -213.894639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.894639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.894639 (E_RNA)
where:
Base-Base interactions energy: -139.669
where: short stacking energy: -79.629
Base-Backbone interact. energy: -0.027
local terms energy: -74.198519
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -9.004
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -25.004
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: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -185.074904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.074904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.074904 (E_RNA)
where:
Base-Base interactions energy: -118.634
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.019
local terms energy: -66.422188
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -17.189
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: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -96.469556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.469556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.469556 (E_RNA)
where:
Base-Base interactions energy: -39.917
where: short stacking energy: -40.917
Base-Backbone interact. energy: 0.580
local terms energy: -57.133106
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -117.385812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.385812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.385812 (E_RNA)
where:
Base-Base interactions energy: -47.848
where: short stacking energy: -41.880
Base-Backbone interact. energy: -0.181
local terms energy: -69.356488
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -90.755948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.755948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.755948 (E_RNA)
where:
Base-Base interactions energy: -36.345
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.090
local terms energy: -54.320456
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -7.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -74.407685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.407685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.407685 (E_RNA)
where:
Base-Base interactions energy: -28.509
where: short stacking energy: -28.509
Base-Backbone interact. energy: -0.083
local terms energy: -45.815466
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -4.924
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: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -234.697174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.697174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.697174 (E_RNA)
where:
Base-Base interactions energy: -151.863
where: short stacking energy: -86.700
Base-Backbone interact. energy: -0.003
local terms energy: -82.830936
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -24.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -225.614252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.614252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.614252 (E_RNA)
where:
Base-Base interactions energy: -138.371
where: short stacking energy: -76.981
Base-Backbone interact. energy: -0.597
local terms energy: -86.645532
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -212.531640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.531640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.531640 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.007
local terms energy: -72.844719
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -197.841232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.841232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.841232 (E_RNA)
where:
Base-Base interactions energy: -118.830
where: short stacking energy: -57.725
Base-Backbone interact. energy: -0.683
local terms energy: -78.327746
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -218.819210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.819210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.819210 (E_RNA)
where:
Base-Base interactions energy: -133.035
where: short stacking energy: -72.065
Base-Backbone interact. energy: -0.060
local terms energy: -85.724221
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -171.449846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.449846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.449846 (E_RNA)
where:
Base-Base interactions energy: -113.801
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.998
local terms energy: -56.650770
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -96.860954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.860954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.860954 (E_RNA)
where:
Base-Base interactions energy: -45.005
where: short stacking energy: -40.656
Base-Backbone interact. energy: -0.100
local terms energy: -51.755553
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -103.331974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.331974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.331974 (E_RNA)
where:
Base-Base interactions energy: -47.321
where: short stacking energy: -37.328
Base-Backbone interact. energy: -0.067
local terms energy: -55.943625
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -85.446892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.446892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.446892 (E_RNA)
where:
Base-Base interactions energy: -26.477
where: short stacking energy: -25.592
Base-Backbone interact. energy: -0.102
local terms energy: -58.868299
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -75.176430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.176430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.176430 (E_RNA)
where:
Base-Base interactions energy: -25.715
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.125
local terms energy: -49.336591
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: 0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -230.719570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.719570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.719570 (E_RNA)
where:
Base-Base interactions energy: -142.210
where: short stacking energy: -78.789
Base-Backbone interact. energy: -0.020
local terms energy: -88.490040
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -215.007381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.007381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.007381 (E_RNA)
where:
Base-Base interactions energy: -134.497
where: short stacking energy: -69.067
Base-Backbone interact. energy: 0.351
local terms energy: -80.861276
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -224.745244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.745244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.745244 (E_RNA)
where:
Base-Base interactions energy: -137.170
where: short stacking energy: -79.056
Base-Backbone interact. energy: -0.216
local terms energy: -87.359407
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -25.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -204.913768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.913768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.913768 (E_RNA)
where:
Base-Base interactions energy: -128.054
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.020
local terms energy: -76.839945
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -21.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -187.469732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.469732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.469732 (E_RNA)
where:
Base-Base interactions energy: -119.542
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.399
local terms energy: -67.528832
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -181.886554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.886554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.886554 (E_RNA)
where:
Base-Base interactions energy: -118.144
where: short stacking energy: -53.157
Base-Backbone interact. energy: 1.786
local terms energy: -65.528935
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -105.989768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.989768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.989768 (E_RNA)
where:
Base-Base interactions energy: -47.910
where: short stacking energy: -43.117
Base-Backbone interact. energy: -0.106
local terms energy: -57.974456
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -8.412
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: 8, replica: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -96.214558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.214558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.214558 (E_RNA)
where:
Base-Base interactions energy: -31.910
where: short stacking energy: -31.910
Base-Backbone interact. energy: -0.055
local terms energy: -64.249881
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -10.557
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: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -110.771757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.771757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.771757 (E_RNA)
where:
Base-Base interactions energy: -59.574
where: short stacking energy: -38.368
Base-Backbone interact. energy: -0.107
local terms energy: -51.091127
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -86.140996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140996 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.082
local terms energy: -53.375222
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -221.508791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.508791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.508791 (E_RNA)
where:
Base-Base interactions energy: -141.182
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.181
local terms energy: -80.146537
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -225.083579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.083579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.083579 (E_RNA)
where:
Base-Base interactions energy: -143.576
where: short stacking energy: -77.663
Base-Backbone interact. energy: -0.004
local terms energy: -81.503346
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -24.815
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: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -214.386381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.386381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.386381 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -68.013
Base-Backbone interact. energy: -0.036
local terms energy: -76.982207
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -208.909533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.909533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.909533 (E_RNA)
where:
Base-Base interactions energy: -127.688
where: short stacking energy: -64.985
Base-Backbone interact. energy: 0.073
local terms energy: -81.294726
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -188.738718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.738718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.738718 (E_RNA)
where:
Base-Base interactions energy: -124.880
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.104
local terms energy: -63.755324
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -187.556270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.556270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.556270 (E_RNA)
where:
Base-Base interactions energy: -118.526
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.186
local terms energy: -68.844453
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -14.181
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: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -112.038703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.038703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.038703 (E_RNA)
where:
Base-Base interactions energy: -54.905
where: short stacking energy: -54.890
Base-Backbone interact. energy: -0.022
local terms energy: -57.112263
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -6.674
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -90.185210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.185210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.185210 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.049
local terms energy: -59.669638
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -90.490314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.490314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.490314 (E_RNA)
where:
Base-Base interactions energy: -39.461
where: short stacking energy: -39.461
Base-Backbone interact. energy: -0.116
local terms energy: -50.913560
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -6.183
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: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -74.352969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.352969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.352969 (E_RNA)
where:
Base-Base interactions energy: -26.798
where: short stacking energy: -25.900
Base-Backbone interact. energy: -0.447
local terms energy: -47.108408
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -232.025969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.025969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.025969 (E_RNA)
where:
Base-Base interactions energy: -145.965
where: short stacking energy: -80.308
Base-Backbone interact. energy: -0.008
local terms energy: -86.053326
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -224.548926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.548926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.548926 (E_RNA)
where:
Base-Base interactions energy: -145.510
where: short stacking energy: -75.581
Base-Backbone interact. energy: -0.020
local terms energy: -79.019156
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -10.315
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: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -208.768317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.768317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.768317 (E_RNA)
where:
Base-Base interactions energy: -132.879
where: short stacking energy: -69.843
Base-Backbone interact. energy: -0.465
local terms energy: -75.424375
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -198.398753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.398753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.398753 (E_RNA)
where:
Base-Base interactions energy: -130.035
where: short stacking energy: -66.490
Base-Backbone interact. energy: -0.079
local terms energy: -68.284645
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -185.483873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.483873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.483873 (E_RNA)
where:
Base-Base interactions energy: -118.739
where: short stacking energy: -64.279
Base-Backbone interact. energy: -0.097
local terms energy: -66.648118
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -192.131215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.131215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.131215 (E_RNA)
where:
Base-Base interactions energy: -119.538
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.092
local terms energy: -72.501080
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -104.793524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.793524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.793524 (E_RNA)
where:
Base-Base interactions energy: -44.548
where: short stacking energy: -44.386
Base-Backbone interact. energy: -0.062
local terms energy: -60.183408
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -97.858351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.858351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.858351 (E_RNA)
where:
Base-Base interactions energy: -42.699
where: short stacking energy: -42.699
Base-Backbone interact. energy: -0.119
local terms energy: -55.039608
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -7.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -93.187900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.187900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.187900 (E_RNA)
where:
Base-Base interactions energy: -37.320
where: short stacking energy: -37.302
Base-Backbone interact. energy: 0.103
local terms energy: -55.970876
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -80.967029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.967029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.967029 (E_RNA)
where:
Base-Base interactions energy: -26.508
where: short stacking energy: -24.868
Base-Backbone interact. energy: 0.332
local terms energy: -54.790993
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -228.752172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.752172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.752172 (E_RNA)
where:
Base-Base interactions energy: -147.450
where: short stacking energy: -83.604
Base-Backbone interact. energy: -0.037
local terms energy: -81.265146
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -24.045
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: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -218.315981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315981 (E_RNA)
where:
Base-Base interactions energy: -134.618
where: short stacking energy: -72.394
Base-Backbone interact. energy: -0.031
local terms energy: -83.667875
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -17.905
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -221.209201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.209201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.209201 (E_RNA)
where:
Base-Base interactions energy: -138.309
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.016
local terms energy: -82.884432
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -196.958164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.958164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.958164 (E_RNA)
where:
Base-Base interactions energy: -119.314
where: short stacking energy: -66.892
Base-Backbone interact. energy: -1.208
local terms energy: -76.436095
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -212.616855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.616855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.616855 (E_RNA)
where:
Base-Base interactions energy: -140.392
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.002
local terms energy: -72.222872
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -183.370097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.370097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.370097 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -55.996
Base-Backbone interact. energy: 0.090
local terms energy: -63.625738
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -101.115028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.115028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.115028 (E_RNA)
where:
Base-Base interactions energy: -45.244
where: short stacking energy: -35.773
Base-Backbone interact. energy: -0.142
local terms energy: -55.728705
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -99.750400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.750400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.750400 (E_RNA)
where:
Base-Base interactions energy: -48.996
where: short stacking energy: -45.152
Base-Backbone interact. energy: -0.148
local terms energy: -50.606287
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -8.599
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: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -78.179019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.179019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.179019 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.180
local terms energy: -45.169091
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: 0.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -78.036209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.036209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.036209 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -20.757
Base-Backbone interact. energy: -0.214
local terms energy: -46.177538
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -8.050
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -223.912090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.912090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.912090 (E_RNA)
where:
Base-Base interactions energy: -141.318
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.038
local terms energy: -82.556257
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -23.713
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: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -215.547299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.547299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.547299 (E_RNA)
where:
Base-Base interactions energy: -138.322
where: short stacking energy: -74.258
Base-Backbone interact. energy: -0.002
local terms energy: -77.223476
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -12.496
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: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -216.979949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.979949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.979949 (E_RNA)
where:
Base-Base interactions energy: -143.912
where: short stacking energy: -77.663
Base-Backbone interact. energy: -0.001
local terms energy: -73.066689
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -22.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -211.383965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.383965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.383965 (E_RNA)
where:
Base-Base interactions energy: -140.639
where: short stacking energy: -78.691
Base-Backbone interact. energy: -0.049
local terms energy: -70.696195
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -22.585
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: 9
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -201.937777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.937777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.937777 (E_RNA)
where:
Base-Base interactions energy: -130.364
where: short stacking energy: -61.702
Base-Backbone interact. energy: 0.329
local terms energy: -71.902523
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -18.278
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: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -186.929217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.929217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.929217 (E_RNA)
where:
Base-Base interactions energy: -119.978
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.101
local terms energy: -66.850235
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -9.345
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: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -105.289113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.289113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.289113 (E_RNA)
where:
Base-Base interactions energy: -42.677
where: short stacking energy: -36.998
Base-Backbone interact. energy: -0.391
local terms energy: -62.221157
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -98.966051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.966051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.966051 (E_RNA)
where:
Base-Base interactions energy: -43.685
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.059
local terms energy: -55.222508
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -8.561
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: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -87.381461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.381461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.381461 (E_RNA)
where:
Base-Base interactions energy: -34.360
where: short stacking energy: -29.996
Base-Backbone interact. energy: -0.036
local terms energy: -52.985303
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -89.067282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.067282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.067282 (E_RNA)
where:
Base-Base interactions energy: -32.034
where: short stacking energy: -32.034
Base-Backbone interact. energy: -0.007
local terms energy: -57.026807
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -226.967817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.967817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.967817 (E_RNA)
where:
Base-Base interactions energy: -142.546
where: short stacking energy: -74.817
Base-Backbone interact. energy: -0.003
local terms energy: -84.419553
where:
bonds (distance) C4'-P energy: -16.875
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -22.697
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: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -220.570722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.570722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.570722 (E_RNA)
where:
Base-Base interactions energy: -144.129
where: short stacking energy: -81.154
Base-Backbone interact. energy: -0.056
local terms energy: -76.386552
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -20.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -211.992457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.992457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.992457 (E_RNA)
where:
Base-Base interactions energy: -132.655
where: short stacking energy: -73.282
Base-Backbone interact. energy: -0.001
local terms energy: -79.337185
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -209.361914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.361914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.361914 (E_RNA)
where:
Base-Base interactions energy: -128.888
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.085
local terms energy: -80.388813
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -21.249
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: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -192.248019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.248019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.248019 (E_RNA)
where:
Base-Base interactions energy: -121.160
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.345
local terms energy: -70.743053
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -203.980022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.980022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.980022 (E_RNA)
where:
Base-Base interactions energy: -123.084
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.000
local terms energy: -80.895338
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -94.890039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.890039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.890039 (E_RNA)
where:
Base-Base interactions energy: -39.814
where: short stacking energy: -29.543
Base-Backbone interact. energy: -0.029
local terms energy: -55.046761
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -5.120
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: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -127.392715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.392715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.392715 (E_RNA)
where:
Base-Base interactions energy: -66.149
where: short stacking energy: -49.517
Base-Backbone interact. energy: -0.246
local terms energy: -60.997610
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -10.906
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: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -93.732596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.732596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.732596 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -37.862
Base-Backbone interact. energy: -0.282
local terms energy: -55.578910
where:
bonds (distance) C4'-P energy: -6.805
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -6.881
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -85.780105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.780105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.780105 (E_RNA)
where:
Base-Base interactions energy: -24.860
where: short stacking energy: -24.860
Base-Backbone interact. energy: -0.110
local terms energy: -60.810283
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -219.946733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.946733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.946733 (E_RNA)
where:
Base-Base interactions energy: -141.125
where: short stacking energy: -78.022
Base-Backbone interact. energy: -0.047
local terms energy: -78.775092
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -20.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -231.155494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.155494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.155494 (E_RNA)
where:
Base-Base interactions energy: -145.347
where: short stacking energy: -79.258
Base-Backbone interact. energy: -0.312
local terms energy: -85.497050
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -14.457
tors. eta vs tors. theta energy: -24.221
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: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -200.754538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.754538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.754538 (E_RNA)
where:
Base-Base interactions energy: -124.044
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.252
local terms energy: -76.459111
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -220.858071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.858071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.858071 (E_RNA)
where:
Base-Base interactions energy: -135.555
where: short stacking energy: -69.880
Base-Backbone interact. energy: -0.002
local terms energy: -85.301039
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -13.219
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: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -191.813295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.813295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.813295 (E_RNA)
where:
Base-Base interactions energy: -115.979
where: short stacking energy: -57.090
Base-Backbone interact. energy: -0.182
local terms energy: -75.652139
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -13.178
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: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -180.153399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.153399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.153399 (E_RNA)
where:
Base-Base interactions energy: -109.176
where: short stacking energy: -53.020
Base-Backbone interact. energy: -0.201
local terms energy: -70.776376
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -6.424
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: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -102.903136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.903136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.903136 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -40.141
Base-Backbone interact. energy: -0.116
local terms energy: -62.645506
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -8.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -98.177111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.177111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.177111 (E_RNA)
where:
Base-Base interactions energy: -53.524
where: short stacking energy: -45.420
Base-Backbone interact. energy: -0.233
local terms energy: -44.420733
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -10.025
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -5.642
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: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -87.242643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.242643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.242643 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -38.248
Base-Backbone interact. energy: -0.172
local terms energy: -48.822289
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -7.021
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: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -77.649331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.649331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.649331 (E_RNA)
where:
Base-Base interactions energy: -26.331
where: short stacking energy: -21.956
Base-Backbone interact. energy: -0.032
local terms energy: -51.286681
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -229.161945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.161945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.161945 (E_RNA)
where:
Base-Base interactions energy: -149.016
where: short stacking energy: -77.490
Base-Backbone interact. energy: 0.894
local terms energy: -81.039868
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -230.750375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.750375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.750375 (E_RNA)
where:
Base-Base interactions energy: -145.680
where: short stacking energy: -80.806
Base-Backbone interact. energy: -0.023
local terms energy: -85.047686
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -22.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -203.086706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.086706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.086706 (E_RNA)
where:
Base-Base interactions energy: -129.021
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.010
local terms energy: -74.055020
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -6.691
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -220.979763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.979763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.979763 (E_RNA)
where:
Base-Base interactions energy: -138.292
where: short stacking energy: -74.218
Base-Backbone interact. energy: 0.645
local terms energy: -83.332790
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -203.291254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.291254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.291254 (E_RNA)
where:
Base-Base interactions energy: -127.163
where: short stacking energy: -58.319
Base-Backbone interact. energy: -0.314
local terms energy: -75.814028
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -188.503096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.503096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.503096 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.310
local terms energy: -67.143279
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -91.657380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.657380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.657380 (E_RNA)
where:
Base-Base interactions energy: -36.617
where: short stacking energy: -27.033
Base-Backbone interact. energy: -0.103
local terms energy: -54.937245
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -11.713
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: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -91.437773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.437773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.437773 (E_RNA)
where:
Base-Base interactions energy: -38.370
where: short stacking energy: -38.370
Base-Backbone interact. energy: -0.039
local terms energy: -53.028899
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -3.020
tors. eta vs tors. theta energy: -8.966
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: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -81.834226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.834226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.834226 (E_RNA)
where:
Base-Base interactions energy: -31.186
where: short stacking energy: -31.186
Base-Backbone interact. energy: -0.189
local terms energy: -50.458489
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -1.575
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: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -84.503026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.503026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.503026 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -36.675
Base-Backbone interact. energy: -0.103
local terms energy: -47.724618
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -2.677
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: 393
Temperature: 0.900000
Total energy: -226.128647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.128647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.128647 (E_RNA)
where:
Base-Base interactions energy: -144.875
where: short stacking energy: -79.652
Base-Backbone interact. energy: -0.622
local terms energy: -80.631545
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -21.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -221.131274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.131274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.131274 (E_RNA)
where:
Base-Base interactions energy: -139.375
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.088
local terms energy: -81.668220
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -14.207
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: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -211.363411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.363411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.363411 (E_RNA)
where:
Base-Base interactions energy: -134.785
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.006
local terms energy: -76.571861
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -214.517685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.517685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.517685 (E_RNA)
where:
Base-Base interactions energy: -139.626
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.248
local terms energy: -74.643811
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -204.020583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.020583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.020583 (E_RNA)
where:
Base-Base interactions energy: -126.893
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.013
local terms energy: -77.114908
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -19.910
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: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -182.560323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.560323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.560323 (E_RNA)
where:
Base-Base interactions energy: -112.996
where: short stacking energy: -54.320
Base-Backbone interact. energy: -0.118
local terms energy: -69.446585
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -113.503433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.503433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.503433 (E_RNA)
where:
Base-Base interactions energy: -54.216
where: short stacking energy: -36.739
Base-Backbone interact. energy: -0.130
local terms energy: -59.157154
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -92.126638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.126638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.126638 (E_RNA)
where:
Base-Base interactions energy: -38.622
where: short stacking energy: -25.488
Base-Backbone interact. energy: -0.090
local terms energy: -53.414863
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -85.900041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.900041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.900041 (E_RNA)
where:
Base-Base interactions energy: -33.292
where: short stacking energy: -32.060
Base-Backbone interact. energy: -0.042
local terms energy: -52.566299
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -9.213
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: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -85.668971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.668971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.668971 (E_RNA)
where:
Base-Base interactions energy: -33.471
where: short stacking energy: -33.471
Base-Backbone interact. energy: -0.127
local terms energy: -52.070557
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -218.159293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.159293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.159293 (E_RNA)
where:
Base-Base interactions energy: -141.426
where: short stacking energy: -65.513
Base-Backbone interact. energy: -0.023
local terms energy: -76.710281
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -227.732270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.732270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.732270 (E_RNA)
where:
Base-Base interactions energy: -144.651
where: short stacking energy: -81.701
Base-Backbone interact. energy: -0.009
local terms energy: -83.072062
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -223.120436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.120436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.120436 (E_RNA)
where:
Base-Base interactions energy: -147.572
where: short stacking energy: -81.317
Base-Backbone interact. energy: -0.011
local terms energy: -75.537019
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -23.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -199.437765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.437765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.437765 (E_RNA)
where:
Base-Base interactions energy: -123.841
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.122
local terms energy: -75.474322
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.936
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: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -203.171194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.171194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.171194 (E_RNA)
where:
Base-Base interactions energy: -135.580
where: short stacking energy: -67.619
Base-Backbone interact. energy: -0.134
local terms energy: -67.456741
where:
bonds (distance) C4'-P energy: -9.245
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -17.038
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: 394
Temperature: 1.150000
Total energy: -160.221900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.221900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.221900 (E_RNA)
where:
Base-Base interactions energy: -95.028
where: short stacking energy: -38.924
Base-Backbone interact. energy: -0.383
local terms energy: -64.811004
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -7.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -115.644184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.644184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.644184 (E_RNA)
where:
Base-Base interactions energy: -58.675
where: short stacking energy: -33.143
Base-Backbone interact. energy: -0.244
local terms energy: -56.725026
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: 1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -88.541000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.541000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.541000 (E_RNA)
where:
Base-Base interactions energy: -42.542
where: short stacking energy: -25.019
Base-Backbone interact. energy: -0.300
local terms energy: -45.699480
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: 2.549
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: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -85.995389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.995389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.995389 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -32.882
Base-Backbone interact. energy: -0.140
local terms energy: -52.972875
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -85.246855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.246855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.246855 (E_RNA)
where:
Base-Base interactions energy: -32.549
where: short stacking energy: -24.564
Base-Backbone interact. energy: -0.124
local terms energy: -52.574336
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -223.338608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.338608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.338608 (E_RNA)
where:
Base-Base interactions energy: -139.658
where: short stacking energy: -71.749
Base-Backbone interact. energy: -0.004
local terms energy: -83.676411
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -227.250789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.250789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.250789 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -79.336
Base-Backbone interact. energy: -0.796
local terms energy: -84.381927
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -216.667340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.667340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.667340 (E_RNA)
where:
Base-Base interactions energy: -138.973
where: short stacking energy: -73.738
Base-Backbone interact. energy: -0.043
local terms energy: -77.651365
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.592
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: 4, replica: 10
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -194.389237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.389237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.389237 (E_RNA)
where:
Base-Base interactions energy: -124.607
where: short stacking energy: -65.341
Base-Backbone interact. energy: -0.009
local terms energy: -69.773971
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -4.710
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -199.656471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.656471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.656471 (E_RNA)
where:
Base-Base interactions energy: -126.880
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.201
local terms energy: -72.575114
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -8.552
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: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -135.169604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.169604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.169604 (E_RNA)
where:
Base-Base interactions energy: -73.181
where: short stacking energy: -44.553
Base-Backbone interact. energy: -0.097
local terms energy: -61.891452
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -144.659148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.659148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.659148 (E_RNA)
where:
Base-Base interactions energy: -80.449
where: short stacking energy: -46.403
Base-Backbone interact. energy: -0.139
local terms energy: -64.070955
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -90.003702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.003702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.003702 (E_RNA)
where:
Base-Base interactions energy: -38.813
where: short stacking energy: -36.380
Base-Backbone interact. energy: -0.261
local terms energy: -50.930384
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -5.024
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: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -89.536130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.536130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.536130 (E_RNA)
where:
Base-Base interactions energy: -36.433
where: short stacking energy: -36.433
Base-Backbone interact. energy: -0.130
local terms energy: -52.972416
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -7.426
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -86.228773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.228773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.228773 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -30.264
Base-Backbone interact. energy: -0.139
local terms energy: -53.038020
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -4.320
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: 396
Temperature: 0.900000
Total energy: -230.800453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.800453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.800453 (E_RNA)
where:
Base-Base interactions energy: -147.003
where: short stacking energy: -83.999
Base-Backbone interact. energy: -0.167
local terms energy: -83.630396
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -217.643189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.643189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.643189 (E_RNA)
where:
Base-Base interactions energy: -139.168
where: short stacking energy: -71.827
Base-Backbone interact. energy: -0.004
local terms energy: -78.471716
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -8.495
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: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -216.006401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.006401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.006401 (E_RNA)
where:
Base-Base interactions energy: -136.237
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.081
local terms energy: -79.687618
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -210.935529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.935529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.935529 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -70.074
Base-Backbone interact. energy: -0.002
local terms energy: -74.566077
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.486
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: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -211.590952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.590952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.590952 (E_RNA)
where:
Base-Base interactions energy: -139.061
where: short stacking energy: -74.132
Base-Backbone interact. energy: -0.004
local terms energy: -72.526503
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -148.100368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.100368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.100368 (E_RNA)
where:
Base-Base interactions energy: -76.862
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.161
local terms energy: -71.076571
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -11.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -132.902323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.902323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.902323 (E_RNA)
where:
Base-Base interactions energy: -73.486
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.377
local terms energy: -59.039510
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -81.482180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.482180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.482180 (E_RNA)
where:
Base-Base interactions energy: -31.552
where: short stacking energy: -29.124
Base-Backbone interact. energy: 0.303
local terms energy: -50.232560
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -1.441
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: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -80.861010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.861010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.861010 (E_RNA)
where:
Base-Base interactions energy: -33.016
where: short stacking energy: -32.268
Base-Backbone interact. energy: 1.897
local terms energy: -49.742188
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -81.370636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.370636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.370636 (E_RNA)
where:
Base-Base interactions energy: -28.686
where: short stacking energy: -24.678
Base-Backbone interact. energy: -0.176
local terms energy: -52.508925
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -8.020
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: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -232.294538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.294538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.294538 (E_RNA)
where:
Base-Base interactions energy: -145.056
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.007
local terms energy: -87.231145
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -11.518
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: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -216.611608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.611608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.611608 (E_RNA)
where:
Base-Base interactions energy: -133.506
where: short stacking energy: -72.467
Base-Backbone interact. energy: -0.121
local terms energy: -82.984591
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -19.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -210.910790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.910790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.910790 (E_RNA)
where:
Base-Base interactions energy: -134.607
where: short stacking energy: -75.934
Base-Backbone interact. energy: -0.008
local terms energy: -76.295091
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -20.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -217.927975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.927975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.927975 (E_RNA)
where:
Base-Base interactions energy: -132.864
where: short stacking energy: -74.261
Base-Backbone interact. energy: -0.007
local terms energy: -85.056837
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -203.356688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.356688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.356688 (E_RNA)
where:
Base-Base interactions energy: -130.714
where: short stacking energy: -71.244
Base-Backbone interact. energy: -0.006
local terms energy: -72.636909
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -19.024
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: 6, replica: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -168.764932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.764932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.764932 (E_RNA)
where:
Base-Base interactions energy: -97.282
where: short stacking energy: -50.500
Base-Backbone interact. energy: -0.053
local terms energy: -71.430521
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -97.882927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.882927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.882927 (E_RNA)
where:
Base-Base interactions energy: -35.411
where: short stacking energy: -33.674
Base-Backbone interact. energy: -0.176
local terms energy: -62.295803
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -88.873298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.873298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.873298 (E_RNA)
where:
Base-Base interactions energy: -42.849
where: short stacking energy: -36.382
Base-Backbone interact. energy: 1.380
local terms energy: -47.403882
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -2.957
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: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -129.524986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.524986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.524986 (E_RNA)
where:
Base-Base interactions energy: -73.687
where: short stacking energy: -38.368
Base-Backbone interact. energy: -0.010
local terms energy: -55.828817
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -72.331856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.331856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.331856 (E_RNA)
where:
Base-Base interactions energy: -21.510
where: short stacking energy: -19.879
Base-Backbone interact. energy: -0.275
local terms energy: -50.546680
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -220.611704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.611704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.611704 (E_RNA)
where:
Base-Base interactions energy: -144.113
where: short stacking energy: -78.067
Base-Backbone interact. energy: -0.101
local terms energy: -76.397688
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -221.823587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.823587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.823587 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -74.121
Base-Backbone interact. energy: -0.061
local terms energy: -79.355238
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.725
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: 398
Temperature: 1.000000
Total energy: -201.777474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.777474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.777474 (E_RNA)
where:
Base-Base interactions energy: -133.647
where: short stacking energy: -66.910
Base-Backbone interact. energy: -0.097
local terms energy: -68.033611
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -197.768870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.768870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.768870 (E_RNA)
where:
Base-Base interactions energy: -125.907
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.394
local terms energy: -71.468265
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -197.571248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.571248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.571248 (E_RNA)
where:
Base-Base interactions energy: -128.272
where: short stacking energy: -68.306
Base-Backbone interact. energy: -0.083
local terms energy: -69.216684
where:
bonds (distance) C4'-P energy: -5.536
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -171.118906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.118906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.118906 (E_RNA)
where:
Base-Base interactions energy: -99.603
where: short stacking energy: -54.669
Base-Backbone interact. energy: -0.134
local terms energy: -71.381189
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -107.144200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.144200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.144200 (E_RNA)
where:
Base-Base interactions energy: -54.718
where: short stacking energy: -33.667
Base-Backbone interact. energy: 1.264
local terms energy: -53.689301
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -100.343874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.343874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.343874 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -36.117
Base-Backbone interact. energy: 1.832
local terms energy: -62.983558
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -116.846514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.846514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.846514 (E_RNA)
where:
Base-Base interactions energy: -47.974
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.574
local terms energy: -68.298815
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -84.588985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.588985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.588985 (E_RNA)
where:
Base-Base interactions energy: -28.921
where: short stacking energy: -28.921
Base-Backbone interact. energy: -0.201
local terms energy: -55.467308
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -7.065
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -230.064937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.064937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.064937 (E_RNA)
where:
Base-Base interactions energy: -147.848
where: short stacking energy: -85.084
Base-Backbone interact. energy: -0.011
local terms energy: -82.205999
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -23.801
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: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -220.002400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.002400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.002400 (E_RNA)
where:
Base-Base interactions energy: -137.536
where: short stacking energy: -76.060
Base-Backbone interact. energy: -0.025
local terms energy: -82.440716
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -11.995
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: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -212.051017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.051017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.051017 (E_RNA)
where:
Base-Base interactions energy: -136.952
where: short stacking energy: -74.269
Base-Backbone interact. energy: -0.313
local terms energy: -74.786303
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -18.086
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: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -210.399435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.399435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399435 (E_RNA)
where:
Base-Base interactions energy: -128.375
where: short stacking energy: -65.939
Base-Backbone interact. energy: -0.171
local terms energy: -81.854329
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -211.424739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.424739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.424739 (E_RNA)
where:
Base-Base interactions energy: -130.469
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.225
local terms energy: -80.730746
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -24.544
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: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -171.735000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.735000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.735000 (E_RNA)
where:
Base-Base interactions energy: -108.092
where: short stacking energy: -51.578
Base-Backbone interact. energy: -0.444
local terms energy: -63.198786
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -95.028680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.028680 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -35.419
Base-Backbone interact. energy: -0.039
local terms energy: -59.571036
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -131.782188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.782188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.782188 (E_RNA)
where:
Base-Base interactions energy: -76.221
where: short stacking energy: -39.144
Base-Backbone interact. energy: -0.173
local terms energy: -55.388360
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -85.342018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.342018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.342018 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.187
local terms energy: -50.841354
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: 0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -87.158306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.158306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.158306 (E_RNA)
where:
Base-Base interactions energy: -27.731
where: short stacking energy: -27.731
Base-Backbone interact. energy: -0.126
local terms energy: -59.301092
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -234.891090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.891090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.891090 (E_RNA)
where:
Base-Base interactions energy: -147.514
where: short stacking energy: -84.005
Base-Backbone interact. energy: 0.081
local terms energy: -87.458992
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -24.142
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: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -195.932656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.932656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.932656 (E_RNA)
where:
Base-Base interactions energy: -124.092
where: short stacking energy: -69.312
Base-Backbone interact. energy: -0.024
local terms energy: -71.816526
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -222.413608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.413608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.413608 (E_RNA)
where:
Base-Base interactions energy: -144.723
where: short stacking energy: -77.377
Base-Backbone interact. energy: -0.597
local terms energy: -77.094217
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -220.687523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.687523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.687523 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.170
local terms energy: -82.614307
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -182.188630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.188630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.188630 (E_RNA)
where:
Base-Base interactions energy: -106.345
where: short stacking energy: -48.796
Base-Backbone interact. energy: -0.300
local terms energy: -75.543960
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -179.400219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.400219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.400219 (E_RNA)
where:
Base-Base interactions energy: -117.699
where: short stacking energy: -52.715
Base-Backbone interact. energy: -0.019
local terms energy: -61.682454
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -4.773
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: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -104.051352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.051352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.051352 (E_RNA)
where:
Base-Base interactions energy: -43.361
where: short stacking energy: -42.467
Base-Backbone interact. energy: -0.066
local terms energy: -60.624111
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -110.491367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.491367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.491367 (E_RNA)
where:
Base-Base interactions energy: -61.148
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.018
local terms energy: -49.325830
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -4.292
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -78.611639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.611639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.611639 (E_RNA)
where:
Base-Base interactions energy: -24.732
where: short stacking energy: -23.399
Base-Backbone interact. energy: -0.193
local terms energy: -53.686696
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -78.956739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.956739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.956739 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.671
local terms energy: -44.766407
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: 1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -222.929684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.929684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.929684 (E_RNA)
where:
Base-Base interactions energy: -142.404
where: short stacking energy: -77.684
Base-Backbone interact. energy: -0.036
local terms energy: -80.489909
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.766
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: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -213.401135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.401135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.401135 (E_RNA)
where:
Base-Base interactions energy: -131.607
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.050
local terms energy: -81.743878
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -207.683796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.683796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.683796 (E_RNA)
where:
Base-Base interactions energy: -134.085
where: short stacking energy: -72.633
Base-Backbone interact. energy: -0.066
local terms energy: -73.533172
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -21.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -217.420356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.420356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.420356 (E_RNA)
where:
Base-Base interactions energy: -142.782
where: short stacking energy: -78.358
Base-Backbone interact. energy: -0.046
local terms energy: -74.592468
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -23.805
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: 5, replica: 9
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -179.253215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.253215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.253215 (E_RNA)
where:
Base-Base interactions energy: -110.035
where: short stacking energy: -50.916
Base-Backbone interact. energy: -0.062
local terms energy: -69.156268
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -4.345
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -176.364876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.364876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.364876 (E_RNA)
where:
Base-Base interactions energy: -112.294
where: short stacking energy: -56.793
Base-Backbone interact. energy: -0.044
local terms energy: -64.026916
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -107.243910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.243910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.243910 (E_RNA)
where:
Base-Base interactions energy: -48.272
where: short stacking energy: -40.699
Base-Backbone interact. energy: -0.138
local terms energy: -58.834613
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.138
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: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -88.731756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.731756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.731756 (E_RNA)
where:
Base-Base interactions energy: -42.615
where: short stacking energy: -29.311
Base-Backbone interact. energy: -0.047
local terms energy: -46.069737
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -1.039
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: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -89.581916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.581916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.581916 (E_RNA)
where:
Base-Base interactions energy: -32.848
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.027
local terms energy: -56.706350
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -87.890348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.890348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.890348 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -27.441
Base-Backbone interact. energy: 0.127
local terms energy: -56.058385
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -234.216777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.216777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.216777 (E_RNA)
where:
Base-Base interactions energy: -149.486
where: short stacking energy: -81.996
Base-Backbone interact. energy: 0.789
local terms energy: -85.520071
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -16.374
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -215.459393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.459393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.459393 (E_RNA)
where:
Base-Base interactions energy: -138.810
where: short stacking energy: -81.938
Base-Backbone interact. energy: -0.001
local terms energy: -76.648792
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -23.890
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: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -229.121286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.121286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.121286 (E_RNA)
where:
Base-Base interactions energy: -143.701
where: short stacking energy: -82.589
Base-Backbone interact. energy: -0.040
local terms energy: -85.380608
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -25.080
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: 402
Temperature: 1.050000
Total energy: -201.940592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.940592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.940592 (E_RNA)
where:
Base-Base interactions energy: -127.269
where: short stacking energy: -61.261
Base-Backbone interact. energy: -0.003
local terms energy: -74.668336
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -191.563981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.563981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.563981 (E_RNA)
where:
Base-Base interactions energy: -121.835
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.308
local terms energy: -69.421212
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -182.221723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.221723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.221723 (E_RNA)
where:
Base-Base interactions energy: -108.533
where: short stacking energy: -64.812
Base-Backbone interact. energy: -0.009
local terms energy: -73.679171
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -105.698314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.698314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.698314 (E_RNA)
where:
Base-Base interactions energy: -42.434
where: short stacking energy: -42.434
Base-Backbone interact. energy: -0.026
local terms energy: -63.238062
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -4.426
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: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -117.272784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.272784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.272784 (E_RNA)
where:
Base-Base interactions energy: -60.880
where: short stacking energy: -47.957
Base-Backbone interact. energy: -0.656
local terms energy: -55.736162
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -7.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -77.376732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.376732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.376732 (E_RNA)
where:
Base-Base interactions energy: -23.771
where: short stacking energy: -21.001
Base-Backbone interact. energy: -0.213
local terms energy: -53.392406
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -82.902218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.902218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.902218 (E_RNA)
where:
Base-Base interactions energy: -34.510
where: short stacking energy: -34.510
Base-Backbone interact. energy: 2.636
local terms energy: -51.028290
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -228.101116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.101116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.101116 (E_RNA)
where:
Base-Base interactions energy: -149.021
where: short stacking energy: -76.558
Base-Backbone interact. energy: -0.072
local terms energy: -79.008536
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -221.837309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.837309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.837309 (E_RNA)
where:
Base-Base interactions energy: -142.000
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.117
local terms energy: -79.720930
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -209.722734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.722734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.722734 (E_RNA)
where:
Base-Base interactions energy: -130.185
where: short stacking energy: -66.565
Base-Backbone interact. energy: -0.033
local terms energy: -79.505127
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -12.353
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: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -212.892311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.892311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.892311 (E_RNA)
where:
Base-Base interactions energy: -142.724
where: short stacking energy: -71.737
Base-Backbone interact. energy: -0.012
local terms energy: -70.157093
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -189.066324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.066324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.066324 (E_RNA)
where:
Base-Base interactions energy: -117.327
where: short stacking energy: -64.071
Base-Backbone interact. energy: -0.048
local terms energy: -71.691529
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -167.128905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.128905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.128905 (E_RNA)
where:
Base-Base interactions energy: -101.083
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.020
local terms energy: -66.025714
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -89.678257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.678257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.678257 (E_RNA)
where:
Base-Base interactions energy: -28.012
where: short stacking energy: -28.012
Base-Backbone interact. energy: -0.179
local terms energy: -61.487501
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -96.476835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.476835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.476835 (E_RNA)
where:
Base-Base interactions energy: -43.566
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.224
local terms energy: -52.686842
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -96.704221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.704221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.704221 (E_RNA)
where:
Base-Base interactions energy: -34.608
where: short stacking energy: -34.608
Base-Backbone interact. energy: -0.203
local terms energy: -61.893408
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -72.667394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.667394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.667394 (E_RNA)
where:
Base-Base interactions energy: -28.063
where: short stacking energy: -18.270
Base-Backbone interact. energy: -0.054
local terms energy: -44.551053
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -11.501
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -229.606016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.606016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.606016 (E_RNA)
where:
Base-Base interactions energy: -148.730
where: short stacking energy: -78.688
Base-Backbone interact. energy: -0.042
local terms energy: -80.834135
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -22.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -212.469950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.469950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.469950 (E_RNA)
where:
Base-Base interactions energy: -133.076
where: short stacking energy: -68.247
Base-Backbone interact. energy: -0.075
local terms energy: -79.318703
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -17.876
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: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -211.271296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.271296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.271296 (E_RNA)
where:
Base-Base interactions energy: -130.423
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.148
local terms energy: -80.700457
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -14.454
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: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -210.881178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.881178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.881178 (E_RNA)
where:
Base-Base interactions energy: -133.314
where: short stacking energy: -69.906
Base-Backbone interact. energy: -0.072
local terms energy: -77.495401
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -12.830
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: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -194.365015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.365015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.365015 (E_RNA)
where:
Base-Base interactions energy: -122.681
where: short stacking energy: -65.160
Base-Backbone interact. energy: -0.112
local terms energy: -71.572583
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -193.501949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.501949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.501949 (E_RNA)
where:
Base-Base interactions energy: -129.578
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.055
local terms energy: -63.868810
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -99.965483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.965483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.965483 (E_RNA)
where:
Base-Base interactions energy: -38.558
where: short stacking energy: -38.558
Base-Backbone interact. energy: -0.153
local terms energy: -61.254365
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -92.704764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.704764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.704764 (E_RNA)
where:
Base-Base interactions energy: -38.129
where: short stacking energy: -28.124
Base-Backbone interact. energy: -0.307
local terms energy: -54.268812
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -88.233953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.233953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.233953 (E_RNA)
where:
Base-Base interactions energy: -39.126
where: short stacking energy: -23.076
Base-Backbone interact. energy: -0.167
local terms energy: -48.941340
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: 0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -78.980004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.980004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.980004 (E_RNA)
where:
Base-Base interactions energy: -31.301
where: short stacking energy: -19.549
Base-Backbone interact. energy: -0.006
local terms energy: -47.673416
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -0.825
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: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -232.314997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.314997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.314997 (E_RNA)
where:
Base-Base interactions energy: -143.863
where: short stacking energy: -80.334
Base-Backbone interact. energy: -0.003
local terms energy: -88.449230
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -23.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -219.437164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.437164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.437164 (E_RNA)
where:
Base-Base interactions energy: -144.196
where: short stacking energy: -80.100
Base-Backbone interact. energy: -0.015
local terms energy: -75.225962
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -23.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -214.943111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.943111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.943111 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -76.111
Base-Backbone interact. energy: -0.002
local terms energy: -74.890711
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -13.441
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -208.887420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.887420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.887420 (E_RNA)
where:
Base-Base interactions energy: -128.350
where: short stacking energy: -67.385
Base-Backbone interact. energy: -0.048
local terms energy: -80.489114
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -9.894
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: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -197.204094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.204094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.204094 (E_RNA)
where:
Base-Base interactions energy: -123.836
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.096
local terms energy: -73.272678
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -196.471704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.471704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.471704 (E_RNA)
where:
Base-Base interactions energy: -123.918
where: short stacking energy: -68.289
Base-Backbone interact. energy: -0.219
local terms energy: -72.334337
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -9.074
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -95.271703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.271703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.271703 (E_RNA)
where:
Base-Base interactions energy: -49.261
where: short stacking energy: -24.731
Base-Backbone interact. energy: -0.371
local terms energy: -45.639021
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: 0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -113.346641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.346641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.346641 (E_RNA)
where:
Base-Base interactions energy: -56.264
where: short stacking energy: -38.046
Base-Backbone interact. energy: -0.150
local terms energy: -56.932410
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -3.482
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -104.486365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.486365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.486365 (E_RNA)
where:
Base-Base interactions energy: -42.066
where: short stacking energy: -42.066
Base-Backbone interact. energy: -0.046
local terms energy: -62.374520
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -82.875415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.875415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.875415 (E_RNA)
where:
Base-Base interactions energy: -31.725
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.127
local terms energy: -51.023633
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.060
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: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -228.889748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.889748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.889748 (E_RNA)
where:
Base-Base interactions energy: -147.673
where: short stacking energy: -81.608
Base-Backbone interact. energy: -0.025
local terms energy: -81.191158
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -23.016
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: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -227.507048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.507048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.507048 (E_RNA)
where:
Base-Base interactions energy: -143.144
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.058
local terms energy: -84.305269
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -22.162
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: 3, replica: 9
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -202.034902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.034902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.034902 (E_RNA)
where:
Base-Base interactions energy: -122.634
where: short stacking energy: -67.737
Base-Backbone interact. energy: -0.001
local terms energy: -79.400577
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -206.851210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.851210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.851210 (E_RNA)
where:
Base-Base interactions energy: -136.969
where: short stacking energy: -70.131
Base-Backbone interact. energy: -0.131
local terms energy: -69.750954
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -16.539
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: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -210.718347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.718347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718347 (E_RNA)
where:
Base-Base interactions energy: -132.672
where: short stacking energy: -70.547
Base-Backbone interact. energy: 0.058
local terms energy: -78.104032
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -10.312
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: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -193.637431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.637431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637431 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.164
local terms energy: -63.543008
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -99.733915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.733915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.733915 (E_RNA)
where:
Base-Base interactions energy: -47.309
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.069
local terms energy: -52.355925
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -3.348
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -97.518421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.518421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.518421 (E_RNA)
where:
Base-Base interactions energy: -39.924
where: short stacking energy: -39.924
Base-Backbone interact. energy: -0.085
local terms energy: -57.509718
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -87.470879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.470879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.470879 (E_RNA)
where:
Base-Base interactions energy: -35.454
where: short stacking energy: -29.121
Base-Backbone interact. energy: -0.020
local terms energy: -51.997235
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -69.803289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.803289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.803289 (E_RNA)
where:
Base-Base interactions energy: -20.937
where: short stacking energy: -20.937
Base-Backbone interact. energy: -0.053
local terms energy: -48.813254
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -222.843967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.843967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.843967 (E_RNA)
where:
Base-Base interactions energy: -141.508
where: short stacking energy: -74.578
Base-Backbone interact. energy: -0.007
local terms energy: -81.329570
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -224.020941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.020941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.020941 (E_RNA)
where:
Base-Base interactions energy: -139.956
where: short stacking energy: -76.805
Base-Backbone interact. energy: -0.006
local terms energy: -84.058900
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -20.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -227.210741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.210741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.210741 (E_RNA)
where:
Base-Base interactions energy: -149.674
where: short stacking energy: -86.199
Base-Backbone interact. energy: -0.004
local terms energy: -77.532565
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -209.995731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.995731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.995731 (E_RNA)
where:
Base-Base interactions energy: -140.920
where: short stacking energy: -75.681
Base-Backbone interact. energy: -0.065
local terms energy: -69.010752
where:
bonds (distance) C4'-P energy: -7.363
bonds (distance) P-C4' energy: -10.779
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -201.846927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.846927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.846927 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -71.612
Base-Backbone interact. energy: -0.002
local terms energy: -72.066386
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -189.288405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.288405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.288405 (E_RNA)
where:
Base-Base interactions energy: -117.849
where: short stacking energy: -58.066
Base-Backbone interact. energy: -0.006
local terms energy: -71.433294
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -98.091516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.091516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.091516 (E_RNA)
where:
Base-Base interactions energy: -53.050
where: short stacking energy: -27.639
Base-Backbone interact. energy: 0.089
local terms energy: -45.130726
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: 0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -102.883806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.883806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.883806 (E_RNA)
where:
Base-Base interactions energy: -41.298
where: short stacking energy: -34.039
Base-Backbone interact. energy: -0.184
local terms energy: -61.401170
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -3.887
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -100.308461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.308461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.308461 (E_RNA)
where:
Base-Base interactions energy: -51.934
where: short stacking energy: -33.313
Base-Backbone interact. energy: -0.152
local terms energy: -48.222373
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -79.818082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.818082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.818082 (E_RNA)
where:
Base-Base interactions energy: -38.423
where: short stacking energy: -24.322
Base-Backbone interact. energy: -0.127
local terms energy: -41.267582
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -0.685
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -209.961537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.961537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.961537 (E_RNA)
where:
Base-Base interactions energy: -127.552
where: short stacking energy: -71.652
Base-Backbone interact. energy: -0.743
local terms energy: -81.666065
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -23.233
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: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -220.608262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.608262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.608262 (E_RNA)
where:
Base-Base interactions energy: -139.611
where: short stacking energy: -77.254
Base-Backbone interact. energy: -0.007
local terms energy: -80.990126
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -19.062
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: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -214.191578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.191578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.191578 (E_RNA)
where:
Base-Base interactions energy: -134.145
where: short stacking energy: -74.284
Base-Backbone interact. energy: -0.091
local terms energy: -79.955889
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -221.785150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.785150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.785150 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -82.502
Base-Backbone interact. energy: -0.001
local terms energy: -78.247457
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -8.439
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: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -203.611696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.611696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.611696 (E_RNA)
where:
Base-Base interactions energy: -135.149
where: short stacking energy: -68.243
Base-Backbone interact. energy: 1.471
local terms energy: -69.933802
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -16.571
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: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -162.737021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.737021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.737021 (E_RNA)
where:
Base-Base interactions energy: -109.292
where: short stacking energy: -51.651
Base-Backbone interact. energy: 0.532
local terms energy: -53.977718
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -3.616
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -100.995103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.995103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.995103 (E_RNA)
where:
Base-Base interactions energy: -53.528
where: short stacking energy: -30.194
Base-Backbone interact. energy: -0.211
local terms energy: -47.255901
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -6.691
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: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -101.330453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.330453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.330453 (E_RNA)
where:
Base-Base interactions energy: -52.460
where: short stacking energy: -42.652
Base-Backbone interact. energy: -0.232
local terms energy: -48.637867
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -2.261
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -83.632450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.632450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.632450 (E_RNA)
where:
Base-Base interactions energy: -24.581
where: short stacking energy: -24.581
Base-Backbone interact. energy: -0.118
local terms energy: -58.934072
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -9.178
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: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -75.917634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.917634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.917634 (E_RNA)
where:
Base-Base interactions energy: -23.849
where: short stacking energy: -23.849
Base-Backbone interact. energy: -0.130
local terms energy: -51.938939
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -225.460860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.460860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.460860 (E_RNA)
where:
Base-Base interactions energy: -137.988
where: short stacking energy: -79.079
Base-Backbone interact. energy: 0.075
local terms energy: -87.547952
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -22.890
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: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -219.613037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.613037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613037 (E_RNA)
where:
Base-Base interactions energy: -136.826
where: short stacking energy: -79.191
Base-Backbone interact. energy: -0.080
local terms energy: -82.706722
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -10.417
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: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -213.885275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.885275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.885275 (E_RNA)
where:
Base-Base interactions energy: -133.396
where: short stacking energy: -71.212
Base-Backbone interact. energy: -0.124
local terms energy: -80.365294
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -215.595701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.595701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.595701 (E_RNA)
where:
Base-Base interactions energy: -140.026
where: short stacking energy: -77.729
Base-Backbone interact. energy: -0.007
local terms energy: -75.562599
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -9.248
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: 409
Temperature: 1.100000
Total energy: -205.788926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.788926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.788926 (E_RNA)
where:
Base-Base interactions energy: -130.585
where: short stacking energy: -71.095
Base-Backbone interact. energy: -0.017
local terms energy: -75.186533
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -169.402999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.402999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.402999 (E_RNA)
where:
Base-Base interactions energy: -102.569
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.368
local terms energy: -66.466076
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -101.703850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.703850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.703850 (E_RNA)
where:
Base-Base interactions energy: -35.107
where: short stacking energy: -35.107
Base-Backbone interact. energy: -0.004
local terms energy: -66.592883
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -97.920709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.920709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.920709 (E_RNA)
where:
Base-Base interactions energy: -51.245
where: short stacking energy: -32.383
Base-Backbone interact. energy: -0.374
local terms energy: -46.301641
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -1.308
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: 9, replica: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -87.058957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.058957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.058957 (E_RNA)
where:
Base-Base interactions energy: -30.926
where: short stacking energy: -31.017
Base-Backbone interact. energy: 0.396
local terms energy: -56.529347
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -4.756
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: 409
Temperature: 1.350000
Total energy: -79.464879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.464879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.464879 (E_RNA)
where:
Base-Base interactions energy: -30.378
where: short stacking energy: -30.378
Base-Backbone interact. energy: 0.427
local terms energy: -49.513679
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: 1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -220.411008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.411008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.411008 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.013
local terms energy: -77.571752
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.302
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: 2, replica: 9
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -224.785597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.785597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.785597 (E_RNA)
where:
Base-Base interactions energy: -138.063
where: short stacking energy: -80.381
Base-Backbone interact. energy: -0.046
local terms energy: -86.676588
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -23.700
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: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -215.562058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.562058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.562058 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -74.964
Base-Backbone interact. energy: 0.889
local terms energy: -81.356417
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -10.714
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: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -206.556109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.556109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.556109 (E_RNA)
where:
Base-Base interactions energy: -132.904
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.123
local terms energy: -73.529351
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -193.693094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.693094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.693094 (E_RNA)
where:
Base-Base interactions energy: -123.025
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.212
local terms energy: -70.455981
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -177.690963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.690963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.690963 (E_RNA)
where:
Base-Base interactions energy: -109.453
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.329
local terms energy: -67.908436
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -95.595039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.595039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.595039 (E_RNA)
where:
Base-Base interactions energy: -48.118
where: short stacking energy: -32.008
Base-Backbone interact. energy: -0.313
local terms energy: -47.164219
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: 0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -92.078698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.078698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.078698 (E_RNA)
where:
Base-Base interactions energy: -35.358
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.264
local terms energy: -56.456783
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -86.203942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.203942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.203942 (E_RNA)
where:
Base-Base interactions energy: -36.953
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.135
local terms energy: -49.115996
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -8.537
flat angles P-C4'-P energy: -9.562
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: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -77.851092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.851092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.851092 (E_RNA)
where:
Base-Base interactions energy: -30.445
where: short stacking energy: -30.545
Base-Backbone interact. energy: 0.061
local terms energy: -47.467370
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -9.807
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: 1, replica: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -217.224774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.224774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.224774 (E_RNA)
where:
Base-Base interactions energy: -134.356
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.031
local terms energy: -82.838502
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -227.766395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.766395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.766395 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -85.589
Base-Backbone interact. energy: -0.049
local terms energy: -85.294265
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -24.083
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: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -217.159089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.159089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.159089 (E_RNA)
where:
Base-Base interactions energy: -130.054
where: short stacking energy: -72.324
Base-Backbone interact. energy: -0.605
local terms energy: -86.500205
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -22.992
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: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -205.452363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.452363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.452363 (E_RNA)
where:
Base-Base interactions energy: -130.316
where: short stacking energy: -72.349
Base-Backbone interact. energy: -0.756
local terms energy: -74.381233
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -21.254
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: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -207.947727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.947727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.947727 (E_RNA)
where:
Base-Base interactions energy: -130.726
where: short stacking energy: -67.354
Base-Backbone interact. energy: -0.106
local terms energy: -77.116089
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.615
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: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -160.781921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.781921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.781921 (E_RNA)
where:
Base-Base interactions energy: -93.077
where: short stacking energy: -45.245
Base-Backbone interact. energy: -0.749
local terms energy: -66.956084
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -93.834858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.834858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.834858 (E_RNA)
where:
Base-Base interactions energy: -36.750
where: short stacking energy: -36.750
Base-Backbone interact. energy: -0.369
local terms energy: -56.715919
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -96.181268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181268 (E_RNA)
where:
Base-Base interactions energy: -35.871
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.049
local terms energy: -60.261601
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -86.936304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.936304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.936304 (E_RNA)
where:
Base-Base interactions energy: -34.049
where: short stacking energy: -34.049
Base-Backbone interact. energy: -0.057
local terms energy: -52.830695
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -5.653
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: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -87.253800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.253800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.253800 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -36.846
Base-Backbone interact. energy: -0.163
local terms energy: -50.244055
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -224.680894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.680894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.680894 (E_RNA)
where:
Base-Base interactions energy: -147.511
where: short stacking energy: -82.352
Base-Backbone interact. energy: -0.001
local terms energy: -77.169089
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -24.527
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: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -213.109944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.109944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.109944 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.638
local terms energy: -78.454641
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -11.662
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: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -211.050755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.050755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.050755 (E_RNA)
where:
Base-Base interactions energy: -136.691
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.011
local terms energy: -74.349230
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -21.388
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: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -190.459383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.459383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.459383 (E_RNA)
where:
Base-Base interactions energy: -118.840
where: short stacking energy: -61.329
Base-Backbone interact. energy: -0.260
local terms energy: -71.360017
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -205.816044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.816044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.816044 (E_RNA)
where:
Base-Base interactions energy: -134.262
where: short stacking energy: -71.067
Base-Backbone interact. energy: -0.231
local terms energy: -71.322808
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.106
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: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -170.065865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.065865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.065865 (E_RNA)
where:
Base-Base interactions energy: -106.302
where: short stacking energy: -48.995
Base-Backbone interact. energy: -0.097
local terms energy: -63.666989
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -100.659440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.659440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.659440 (E_RNA)
where:
Base-Base interactions energy: -38.282
where: short stacking energy: -31.523
Base-Backbone interact. energy: -0.183
local terms energy: -62.194135
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -109.377403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.377403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.377403 (E_RNA)
where:
Base-Base interactions energy: -55.727
where: short stacking energy: -40.296
Base-Backbone interact. energy: -0.539
local terms energy: -53.111934
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -90.150954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.150954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.150954 (E_RNA)
where:
Base-Base interactions energy: -39.868
where: short stacking energy: -40.140
Base-Backbone interact. energy: 0.151
local terms energy: -50.433733
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -83.279704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.279704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.279704 (E_RNA)
where:
Base-Base interactions energy: -34.594
where: short stacking energy: -33.981
Base-Backbone interact. energy: -0.062
local terms energy: -48.624480
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -231.068435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.068435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.068435 (E_RNA)
where:
Base-Base interactions energy: -152.148
where: short stacking energy: -80.460
Base-Backbone interact. energy: -0.002
local terms energy: -78.918853
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -20.867
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: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -213.739157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.739157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.739157 (E_RNA)
where:
Base-Base interactions energy: -134.500
where: short stacking energy: -68.738
Base-Backbone interact. energy: -0.112
local terms energy: -79.127064
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -18.001
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: 413
Temperature: 1.000000
Total energy: -206.171933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171933 (E_RNA)
where:
Base-Base interactions energy: -129.909
where: short stacking energy: -62.328
Base-Backbone interact. energy: -0.577
local terms energy: -75.686241
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -15.332
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -217.255299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.255299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.255299 (E_RNA)
where:
Base-Base interactions energy: -141.798
where: short stacking energy: -81.895
Base-Backbone interact. energy: -0.006
local terms energy: -75.451654
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.476
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: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -208.001247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.001247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.001247 (E_RNA)
where:
Base-Base interactions energy: -130.502
where: short stacking energy: -68.869
Base-Backbone interact. energy: -0.066
local terms energy: -77.433794
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -8.009
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: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -172.509165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.509165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.509165 (E_RNA)
where:
Base-Base interactions energy: -107.182
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.085
local terms energy: -65.241691
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -88.459387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.459387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.459387 (E_RNA)
where:
Base-Base interactions energy: -35.728
where: short stacking energy: -35.728
Base-Backbone interact. energy: -0.134
local terms energy: -52.597403
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -100.811099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.811099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.811099 (E_RNA)
where:
Base-Base interactions energy: -44.100
where: short stacking energy: -41.806
Base-Backbone interact. energy: -0.107
local terms energy: -56.604906
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -90.240242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.240242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.240242 (E_RNA)
where:
Base-Base interactions energy: -46.275
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.226
local terms energy: -43.738976
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -89.131257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.131257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.131257 (E_RNA)
where:
Base-Base interactions energy: -30.164
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.095
local terms energy: -58.871866
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -233.591707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.591707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.591707 (E_RNA)
where:
Base-Base interactions energy: -145.899
where: short stacking energy: -76.156
Base-Backbone interact. energy: -0.001
local terms energy: -87.691981
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -224.073941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.073941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.073941 (E_RNA)
where:
Base-Base interactions energy: -143.489
where: short stacking energy: -82.798
Base-Backbone interact. energy: -0.001
local terms energy: -80.583890
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -224.773780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.773780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.773780 (E_RNA)
where:
Base-Base interactions energy: -143.324
where: short stacking energy: -78.884
Base-Backbone interact. energy: -0.004
local terms energy: -81.445229
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -22.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -213.971736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.971736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.971736 (E_RNA)
where:
Base-Base interactions energy: -135.563
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.001
local terms energy: -78.408115
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -191.598167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.598167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.598167 (E_RNA)
where:
Base-Base interactions energy: -120.331
where: short stacking energy: -59.323
Base-Backbone interact. energy: -0.102
local terms energy: -71.164593
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -163.281986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.281986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.281986 (E_RNA)
where:
Base-Base interactions energy: -106.614
where: short stacking energy: -47.430
Base-Backbone interact. energy: -0.177
local terms energy: -56.490840
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -8.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -95.346961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.346961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.346961 (E_RNA)
where:
Base-Base interactions energy: -40.347
where: short stacking energy: -40.347
Base-Backbone interact. energy: 0.108
local terms energy: -55.107900
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -0.311
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -82.231898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.231898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.231898 (E_RNA)
where:
Base-Base interactions energy: -25.927
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.137
local terms energy: -56.168229
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -8.213
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: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -88.310230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.310230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.310230 (E_RNA)
where:
Base-Base interactions energy: -37.156
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.155
local terms energy: -50.998943
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -87.301133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.301133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.301133 (E_RNA)
where:
Base-Base interactions energy: -32.047
where: short stacking energy: -30.985
Base-Backbone interact. energy: 2.275
local terms energy: -57.529005
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -226.832403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.832403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.832403 (E_RNA)
where:
Base-Base interactions energy: -140.223
where: short stacking energy: -70.709
Base-Backbone interact. energy: -0.105
local terms energy: -86.503495
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -23.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -230.003603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.003603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.003603 (E_RNA)
where:
Base-Base interactions energy: -145.234
where: short stacking energy: -75.625
Base-Backbone interact. energy: -0.163
local terms energy: -84.606400
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -12.254
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: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -219.162847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.162847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.162847 (E_RNA)
where:
Base-Base interactions energy: -141.435
where: short stacking energy: -74.119
Base-Backbone interact. energy: -0.002
local terms energy: -77.725681
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -192.216372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.216372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.216372 (E_RNA)
where:
Base-Base interactions energy: -120.042
where: short stacking energy: -60.707
Base-Backbone interact. energy: -0.007
local terms energy: -72.167070
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -14.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -207.842675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.842675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.842675 (E_RNA)
where:
Base-Base interactions energy: -132.641
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.045
local terms energy: -75.157007
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -197.385644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.385644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.385644 (E_RNA)
where:
Base-Base interactions energy: -129.626
where: short stacking energy: -67.272
Base-Backbone interact. energy: -0.006
local terms energy: -67.753325
where:
bonds (distance) C4'-P energy: -9.953
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -100.294984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.294984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.294984 (E_RNA)
where:
Base-Base interactions energy: -43.019
where: short stacking energy: -43.019
Base-Backbone interact. energy: -0.199
local terms energy: -57.076501
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -10.263
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -91.466085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.466085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.466085 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -26.220
Base-Backbone interact. energy: -0.076
local terms energy: -60.808638
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -79.345690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.345690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.345690 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.304
local terms energy: -46.417835
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: 1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -86.718917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.718917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.718917 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -22.663
Base-Backbone interact. energy: -0.119
local terms energy: -52.461957
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: 2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -227.054717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.054717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.054717 (E_RNA)
where:
Base-Base interactions energy: -139.572
where: short stacking energy: -72.363
Base-Backbone interact. energy: -0.164
local terms energy: -87.318855
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -230.892602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.892602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.892602 (E_RNA)
where:
Base-Base interactions energy: -139.843
where: short stacking energy: -80.213
Base-Backbone interact. energy: -0.031
local terms energy: -91.019158
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -25.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -222.478794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.478794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.478794 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -70.643
Base-Backbone interact. energy: -0.055
local terms energy: -84.329175
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -21.959
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: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -190.086467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.086467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.086467 (E_RNA)
where:
Base-Base interactions energy: -119.897
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.289
local terms energy: -69.900505
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -191.533065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.533065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.533065 (E_RNA)
where:
Base-Base interactions energy: -114.396
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.000
local terms energy: -77.136662
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -18.255
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: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -195.894470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.894470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.894470 (E_RNA)
where:
Base-Base interactions energy: -123.972
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.413
local terms energy: -71.509320
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -102.595782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.595782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.595782 (E_RNA)
where:
Base-Base interactions energy: -43.785
where: short stacking energy: -43.785
Base-Backbone interact. energy: -0.002
local terms energy: -58.808098
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -86.507234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.507234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.507234 (E_RNA)
where:
Base-Base interactions energy: -34.839
where: short stacking energy: -34.773
Base-Backbone interact. energy: -0.054
local terms energy: -51.613523
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -2.984
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: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -85.157785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.157785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.157785 (E_RNA)
where:
Base-Base interactions energy: -41.425
where: short stacking energy: -26.869
Base-Backbone interact. energy: -0.301
local terms energy: -43.431844
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: 0.024
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: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -79.352619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.352619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.352619 (E_RNA)
where:
Base-Base interactions energy: -31.018
where: short stacking energy: -20.042
Base-Backbone interact. energy: 0.126
local terms energy: -48.461091
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -222.944769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.944769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.944769 (E_RNA)
where:
Base-Base interactions energy: -139.524
where: short stacking energy: -79.221
Base-Backbone interact. energy: -0.189
local terms energy: -83.231838
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -24.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -227.002548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.002548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.002548 (E_RNA)
where:
Base-Base interactions energy: -144.151
where: short stacking energy: -82.028
Base-Backbone interact. energy: -0.015
local terms energy: -82.836453
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -217.686522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.686522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.686522 (E_RNA)
where:
Base-Base interactions energy: -142.932
where: short stacking energy: -74.278
Base-Backbone interact. energy: -0.026
local terms energy: -74.728399
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -12.069
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: 4, replica: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -197.146922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.146922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.146922 (E_RNA)
where:
Base-Base interactions energy: -128.495
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.023
local terms energy: -68.629032
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -7.979
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -202.128786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.128786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.128786 (E_RNA)
where:
Base-Base interactions energy: -123.100
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.113
local terms energy: -78.915710
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -17.996
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: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -195.019433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.019433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.019433 (E_RNA)
where:
Base-Base interactions energy: -122.267
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.215
local terms energy: -72.537378
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -96.986781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986781 (E_RNA)
where:
Base-Base interactions energy: -45.697
where: short stacking energy: -45.697
Base-Backbone interact. energy: -0.032
local terms energy: -51.257510
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -9.710
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: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -85.556289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.556289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.556289 (E_RNA)
where:
Base-Base interactions energy: -32.924
where: short stacking energy: -24.653
Base-Backbone interact. energy: -0.569
local terms energy: -52.062836
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -12.259
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: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -88.372365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.372365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.372365 (E_RNA)
where:
Base-Base interactions energy: -29.767
where: short stacking energy: -29.767
Base-Backbone interact. energy: -0.101
local terms energy: -58.504414
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -8.938
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -9.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -83.534139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.534139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.534139 (E_RNA)
where:
Base-Base interactions energy: -30.796
where: short stacking energy: -30.509
Base-Backbone interact. energy: -0.148
local terms energy: -52.590465
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: 1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -227.633572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.633572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.633572 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -78.941
Base-Backbone interact. energy: -0.028
local terms energy: -81.294217
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -227.293030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.293030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.293030 (E_RNA)
where:
Base-Base interactions energy: -142.385
where: short stacking energy: -80.794
Base-Backbone interact. energy: -0.029
local terms energy: -84.878855
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -207.450020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.450020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.450020 (E_RNA)
where:
Base-Base interactions energy: -136.511
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.428
local terms energy: -70.511255
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -200.208094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.208094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.208094 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -65.478
Base-Backbone interact. energy: -0.069
local terms energy: -73.936983
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -199.484295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.484295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.484295 (E_RNA)
where:
Base-Base interactions energy: -131.174
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.091
local terms energy: -68.219014
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.686
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: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -196.852125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.852125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.852125 (E_RNA)
where:
Base-Base interactions energy: -124.594
where: short stacking energy: -64.633
Base-Backbone interact. energy: -0.157
local terms energy: -72.101482
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -114.557155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.557155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.557155 (E_RNA)
where:
Base-Base interactions energy: -48.972
where: short stacking energy: -32.166
Base-Backbone interact. energy: -0.069
local terms energy: -65.515644
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -97.510478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.510478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.510478 (E_RNA)
where:
Base-Base interactions energy: -39.333
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.156
local terms energy: -58.020984
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -90.012700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.012700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.012700 (E_RNA)
where:
Base-Base interactions energy: -37.550
where: short stacking energy: -36.436
Base-Backbone interact. energy: -0.229
local terms energy: -52.233695
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -6.645
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: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -78.391522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.391522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.391522 (E_RNA)
where:
Base-Base interactions energy: -25.069
where: short stacking energy: -25.069
Base-Backbone interact. energy: -0.167
local terms energy: -53.154874
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -223.540753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.540753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.540753 (E_RNA)
where:
Base-Base interactions energy: -143.753
where: short stacking energy: -75.503
Base-Backbone interact. energy: -0.215
local terms energy: -79.572298
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -25.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -223.151240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.151240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.151240 (E_RNA)
where:
Base-Base interactions energy: -140.539
where: short stacking energy: -83.938
Base-Backbone interact. energy: -0.001
local terms energy: -82.610405
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -22.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -212.568484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.568484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.568484 (E_RNA)
where:
Base-Base interactions energy: -136.733
where: short stacking energy: -76.742
Base-Backbone interact. energy: -0.577
local terms energy: -75.259003
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -11.932
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: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -204.456297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.456297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.456297 (E_RNA)
where:
Base-Base interactions energy: -129.752
where: short stacking energy: -69.237
Base-Backbone interact. energy: -0.002
local terms energy: -74.702743
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -15.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -200.926397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.926397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.926397 (E_RNA)
where:
Base-Base interactions energy: -129.053
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.058
local terms energy: -71.816134
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -203.853887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.853887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.853887 (E_RNA)
where:
Base-Base interactions energy: -132.537
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.592
local terms energy: -70.725696
where:
bonds (distance) C4'-P energy: -8.092
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -96.486385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.486385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.486385 (E_RNA)
where:
Base-Base interactions energy: -41.320
where: short stacking energy: -29.635
Base-Backbone interact. energy: 1.750
local terms energy: -56.916716
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -5.223
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: 419
Temperature: 1.250000
Total energy: -101.394804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.394804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.394804 (E_RNA)
where:
Base-Base interactions energy: -44.220
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.181
local terms energy: -56.993156
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -5.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -93.482879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.482879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.482879 (E_RNA)
where:
Base-Base interactions energy: -36.224
where: short stacking energy: -35.516
Base-Backbone interact. energy: 1.297
local terms energy: -58.556200
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -75.427003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.427003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.427003 (E_RNA)
where:
Base-Base interactions energy: -30.836
where: short stacking energy: -21.997
Base-Backbone interact. energy: -0.335
local terms energy: -44.255381
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: 1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -217.464893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.464893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.464893 (E_RNA)
where:
Base-Base interactions energy: -140.309
where: short stacking energy: -76.888
Base-Backbone interact. energy: -0.222
local terms energy: -76.933583
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -219.606380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.606380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.606380 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -80.000
Base-Backbone interact. energy: -0.016
local terms energy: -81.616447
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -24.486
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: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -211.356204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.356204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.356204 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -66.307
Base-Backbone interact. energy: -0.000
local terms energy: -78.680579
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -211.024394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.024394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.024394 (E_RNA)
where:
Base-Base interactions energy: -132.722
where: short stacking energy: -69.551
Base-Backbone interact. energy: 0.817
local terms energy: -79.118512
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -13.123
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: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -198.632778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.632778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.632778 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -59.064
Base-Backbone interact. energy: -0.132
local terms energy: -79.192133
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -194.481589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.481589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.481589 (E_RNA)
where:
Base-Base interactions energy: -128.463
where: short stacking energy: -62.240
Base-Backbone interact. energy: -0.167
local terms energy: -65.850986
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -92.557216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.557216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.557216 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.341
local terms energy: -58.279654
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -7.130
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: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -93.730358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.730358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.730358 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.118
local terms energy: -56.534104
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -90.255155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255155 (E_RNA)
where:
Base-Base interactions energy: -39.889
where: short stacking energy: -24.190
Base-Backbone interact. energy: -0.449
local terms energy: -49.916564
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: 1.580
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -78.729669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729669 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.153
local terms energy: -47.890445
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -8.796
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -233.608128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.608128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.608128 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -84.898
Base-Backbone interact. energy: -0.285
local terms energy: -84.645958
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -221.980583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.980583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.980583 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -81.819
Base-Backbone interact. energy: -0.073
local terms energy: -78.887011
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -24.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -203.231689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.231689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.231689 (E_RNA)
where:
Base-Base interactions energy: -128.855
where: short stacking energy: -68.601
Base-Backbone interact. energy: 1.418
local terms energy: -75.795366
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -6.742
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: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -204.993801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.993801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.993801 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.018
local terms energy: -75.623422
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -212.639295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.639295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.639295 (E_RNA)
where:
Base-Base interactions energy: -133.127
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.129
local terms energy: -79.383533
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.640
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: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -202.637924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.637924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.637924 (E_RNA)
where:
Base-Base interactions energy: -131.206
where: short stacking energy: -77.955
Base-Backbone interact. energy: -0.011
local terms energy: -71.420594
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -103.736608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.736608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.736608 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -35.557
Base-Backbone interact. energy: -0.004
local terms energy: -66.251984
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -11.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -101.253591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.253591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.253591 (E_RNA)
where:
Base-Base interactions energy: -44.247
where: short stacking energy: -39.013
Base-Backbone interact. energy: 1.288
local terms energy: -58.294187
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -1.470
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -87.932663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.932663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.932663 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -34.574
Base-Backbone interact. energy: -0.061
local terms energy: -53.298193
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -4.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -76.313075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.313075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.313075 (E_RNA)
where:
Base-Base interactions energy: -32.267
where: short stacking energy: -30.357
Base-Backbone interact. energy: 1.322
local terms energy: -45.368677
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -3.861
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -230.229720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.229720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.229720 (E_RNA)
where:
Base-Base interactions energy: -145.046
where: short stacking energy: -79.338
Base-Backbone interact. energy: -0.003
local terms energy: -85.181118
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -24.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -209.209974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.209974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.209974 (E_RNA)
where:
Base-Base interactions energy: -132.197
where: short stacking energy: -74.329
Base-Backbone interact. energy: 0.143
local terms energy: -77.156540
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.522
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: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -224.234547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.234547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.234547 (E_RNA)
where:
Base-Base interactions energy: -145.701
where: short stacking energy: -78.456
Base-Backbone interact. energy: -0.003
local terms energy: -78.530126
where:
bonds (distance) C4'-P energy: -8.544
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -11.735
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: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -206.345416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.345416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.345416 (E_RNA)
where:
Base-Base interactions energy: -135.734
where: short stacking energy: -70.857
Base-Backbone interact. energy: -0.005
local terms energy: -70.606100
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -207.494961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.494961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.494961 (E_RNA)
where:
Base-Base interactions energy: -129.204
where: short stacking energy: -70.705
Base-Backbone interact. energy: -0.012
local terms energy: -78.278115
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -175.062128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.062128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.062128 (E_RNA)
where:
Base-Base interactions energy: -115.299
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.230
local terms energy: -59.533634
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -93.687130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.687130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.687130 (E_RNA)
where:
Base-Base interactions energy: -41.046
where: short stacking energy: -36.954
Base-Backbone interact. energy: -0.253
local terms energy: -52.387503
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -7.755
flat angles P-C4'-P energy: -7.533
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -108.232651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.232651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.232651 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -43.942
Base-Backbone interact. energy: -0.038
local terms energy: -64.253292
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -90.498283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.498283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.498283 (E_RNA)
where:
Base-Base interactions energy: -38.146
where: short stacking energy: -33.157
Base-Backbone interact. energy: -0.182
local terms energy: -52.169984
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -90.543636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.543636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.543636 (E_RNA)
where:
Base-Base interactions energy: -47.016
where: short stacking energy: -29.320
Base-Backbone interact. energy: -0.144
local terms energy: -43.384063
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -5.555
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -236.751949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.751949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.751949 (E_RNA)
where:
Base-Base interactions energy: -148.452
where: short stacking energy: -85.181
Base-Backbone interact. energy: -0.049
local terms energy: -88.251452
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -25.384
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: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -222.973438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.973438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.973438 (E_RNA)
where:
Base-Base interactions energy: -143.259
where: short stacking energy: -76.721
Base-Backbone interact. energy: -0.003
local terms energy: -79.711480
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -18.400
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: 423
Temperature: 1.000000
Total energy: -219.988560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.988560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.988560 (E_RNA)
where:
Base-Base interactions energy: -140.548
where: short stacking energy: -78.044
Base-Backbone interact. energy: -0.002
local terms energy: -79.438210
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -208.930405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.930405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.930405 (E_RNA)
where:
Base-Base interactions energy: -132.332
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.139
local terms energy: -76.459982
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -205.341887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.341887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.341887 (E_RNA)
where:
Base-Base interactions energy: -134.245
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.245
local terms energy: -70.852095
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.149
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: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -188.399297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.399297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.399297 (E_RNA)
where:
Base-Base interactions energy: -117.867
where: short stacking energy: -62.974
Base-Backbone interact. energy: -0.215
local terms energy: -70.317075
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -88.305889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.305889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.305889 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -34.794
Base-Backbone interact. energy: -0.103
local terms energy: -53.409164
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -106.115068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.115068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.115068 (E_RNA)
where:
Base-Base interactions energy: -53.853
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.535
local terms energy: -51.726765
where:
bonds (distance) C4'-P energy: -7.641
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -92.073372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.073372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.073372 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -35.469
Base-Backbone interact. energy: -0.281
local terms energy: -57.023194
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -6.784
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: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -81.303286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.303286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.303286 (E_RNA)
where:
Base-Base interactions energy: -28.714
where: short stacking energy: -28.714
Base-Backbone interact. energy: -0.147
local terms energy: -52.442143
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -9.238
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: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -235.727169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.727169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.727169 (E_RNA)
where:
Base-Base interactions energy: -151.544
where: short stacking energy: -85.354
Base-Backbone interact. energy: -0.026
local terms energy: -84.157460
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -13.650
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: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -224.797654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.797654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.797654 (E_RNA)
where:
Base-Base interactions energy: -140.591
where: short stacking energy: -68.021
Base-Backbone interact. energy: -0.023
local terms energy: -84.183026
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -12.726
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: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -216.659167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.659167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.659167 (E_RNA)
where:
Base-Base interactions energy: -141.420
where: short stacking energy: -72.120
Base-Backbone interact. energy: -0.043
local terms energy: -75.196077
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -205.906567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.906567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.906567 (E_RNA)
where:
Base-Base interactions energy: -128.103
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.014
local terms energy: -77.789415
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -186.533779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.533779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.533779 (E_RNA)
where:
Base-Base interactions energy: -117.850
where: short stacking energy: -61.665
Base-Backbone interact. energy: -0.009
local terms energy: -68.675669
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -200.811983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.811983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.811983 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -70.251
Base-Backbone interact. energy: -0.002
local terms energy: -77.311734
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -91.341490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.341490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.341490 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -17.503
Base-Backbone interact. energy: -0.080
local terms energy: -52.286540
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -10.720
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: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -99.743117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.743117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.743117 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -44.567
Base-Backbone interact. energy: 0.369
local terms energy: -55.544718
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -10.844
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -83.667311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.667311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.667311 (E_RNA)
where:
Base-Base interactions energy: -34.751
where: short stacking energy: -28.579
Base-Backbone interact. energy: 0.751
local terms energy: -49.667715
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -81.513340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.513340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.513340 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -33.739
Base-Backbone interact. energy: -0.349
local terms energy: -39.128010
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -4.250
tors. eta vs tors. theta energy: -3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -236.808073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.808073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.808073 (E_RNA)
where:
Base-Base interactions energy: -147.600
where: short stacking energy: -87.334
Base-Backbone interact. energy: -0.026
local terms energy: -89.182593
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -25.517
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -228.019601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.019601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.019601 (E_RNA)
where:
Base-Base interactions energy: -147.068
where: short stacking energy: -81.281
Base-Backbone interact. energy: -0.020
local terms energy: -80.931155
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -210.480699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.480699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.480699 (E_RNA)
where:
Base-Base interactions energy: -137.890
where: short stacking energy: -76.613
Base-Backbone interact. energy: -0.023
local terms energy: -72.568247
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -194.440084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.440084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.440084 (E_RNA)
where:
Base-Base interactions energy: -128.455
where: short stacking energy: -64.398
Base-Backbone interact. energy: -0.376
local terms energy: -65.608959
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -194.940330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.940330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.940330 (E_RNA)
where:
Base-Base interactions energy: -127.666
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.196
local terms energy: -67.078100
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -190.396555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.396555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.396555 (E_RNA)
where:
Base-Base interactions energy: -121.757
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.213
local terms energy: -68.426083
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -98.791192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.791192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.791192 (E_RNA)
where:
Base-Base interactions energy: -38.441
where: short stacking energy: -38.441
Base-Backbone interact. energy: -0.277
local terms energy: -60.072960
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -92.409733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.409733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.409733 (E_RNA)
where:
Base-Base interactions energy: -31.794
where: short stacking energy: -31.794
Base-Backbone interact. energy: -0.414
local terms energy: -60.201857
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -89.461001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.461001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.461001 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.005
local terms energy: -55.215433
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -9.092
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: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -76.600683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.600683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.600683 (E_RNA)
where:
Base-Base interactions energy: -28.132
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.285
local terms energy: -48.183124
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -221.201369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.201369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.201369 (E_RNA)
where:
Base-Base interactions energy: -139.664
where: short stacking energy: -70.327
Base-Backbone interact. energy: -0.023
local terms energy: -81.514492
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -12.704
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: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -219.225578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.225578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.225578 (E_RNA)
where:
Base-Base interactions energy: -140.713
where: short stacking energy: -81.580
Base-Backbone interact. energy: 0.714
local terms energy: -79.226716
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -200.250377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.250377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.250377 (E_RNA)
where:
Base-Base interactions energy: -128.951
where: short stacking energy: -62.690
Base-Backbone interact. energy: -0.194
local terms energy: -71.104907
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -195.586555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.586555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.586555 (E_RNA)
where:
Base-Base interactions energy: -122.612
where: short stacking energy: -59.309
Base-Backbone interact. energy: -0.459
local terms energy: -72.515793
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -196.439687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.439687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.439687 (E_RNA)
where:
Base-Base interactions energy: -122.752
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.087
local terms energy: -73.600065
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -184.434604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.434604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.434604 (E_RNA)
where:
Base-Base interactions energy: -113.196
where: short stacking energy: -66.152
Base-Backbone interact. energy: -0.367
local terms energy: -70.871455
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -12.667
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: 7, replica: 7
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -100.501713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.501713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.501713 (E_RNA)
where:
Base-Base interactions energy: -50.201
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.175
local terms energy: -50.125534
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -3.703
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: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -95.321379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.321379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.321379 (E_RNA)
where:
Base-Base interactions energy: -45.316
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.390
local terms energy: -49.615416
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -89.896592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.896592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.896592 (E_RNA)
where:
Base-Base interactions energy: -31.858
where: short stacking energy: -31.224
Base-Backbone interact. energy: -0.195
local terms energy: -57.844180
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -84.867151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.867151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.867151 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -28.936
Base-Backbone interact. energy: -0.106
local terms energy: -53.932398
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -244.675442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.675442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.675442 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -86.431
Base-Backbone interact. energy: -0.009
local terms energy: -88.968973
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -24.898
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: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -202.620331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.620331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.620331 (E_RNA)
where:
Base-Base interactions energy: -121.618
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.089
local terms energy: -80.913219
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -223.150127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.150127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.150127 (E_RNA)
where:
Base-Base interactions energy: -142.834
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.163
local terms energy: -80.152984
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -191.114851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.114851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.114851 (E_RNA)
where:
Base-Base interactions energy: -121.077
where: short stacking energy: -56.109
Base-Backbone interact. energy: -0.037
local terms energy: -70.000377
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -17.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -185.942372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.942372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.942372 (E_RNA)
where:
Base-Base interactions energy: -122.707
where: short stacking energy: -57.345
Base-Backbone interact. energy: -0.381
local terms energy: -62.855115
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -13.268
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: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -191.476272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.476272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.476272 (E_RNA)
where:
Base-Base interactions energy: -130.450
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.010
local terms energy: -61.015688
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -91.133380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.133380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.133380 (E_RNA)
where:
Base-Base interactions energy: -32.149
where: short stacking energy: -32.149
Base-Backbone interact. energy: -0.102
local terms energy: -58.883067
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -105.923355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.923355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.923355 (E_RNA)
where:
Base-Base interactions energy: -46.372
where: short stacking energy: -38.029
Base-Backbone interact. energy: 0.805
local terms energy: -60.356297
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -92.848303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.848303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.848303 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -20.170
Base-Backbone interact. energy: -0.255
local terms energy: -53.858438
where:
bonds (distance) C4'-P energy: -9.299
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -0.456
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: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -91.288883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.288883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.288883 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.020
local terms energy: -53.193033
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -10.594
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -9.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -227.931706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.931706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.931706 (E_RNA)
where:
Base-Base interactions energy: -144.777
where: short stacking energy: -79.838
Base-Backbone interact. energy: -0.006
local terms energy: -83.148560
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -204.923544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.923544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.923544 (E_RNA)
where:
Base-Base interactions energy: -131.298
where: short stacking energy: -64.259
Base-Backbone interact. energy: -0.363
local terms energy: -73.263280
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -213.742584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.742584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.742584 (E_RNA)
where:
Base-Base interactions energy: -128.441
where: short stacking energy: -67.895
Base-Backbone interact. energy: -0.576
local terms energy: -84.725369
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.290
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: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -218.353797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.353797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.353797 (E_RNA)
where:
Base-Base interactions energy: -140.854
where: short stacking energy: -80.143
Base-Backbone interact. energy: -0.005
local terms energy: -77.494232
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -196.017668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.017668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.017668 (E_RNA)
where:
Base-Base interactions energy: -123.144
where: short stacking energy: -68.623
Base-Backbone interact. energy: -0.034
local terms energy: -72.840159
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -15.925
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: 428
Temperature: 1.150000
Total energy: -189.141710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.141710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.141710 (E_RNA)
where:
Base-Base interactions energy: -122.200
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.046
local terms energy: -66.896157
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -13.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -90.390473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.390473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.390473 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -30.941
Base-Backbone interact. energy: -0.105
local terms energy: -59.048753
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.042
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: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -95.688953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688953 (E_RNA)
where:
Base-Base interactions energy: -30.366
where: short stacking energy: -23.761
Base-Backbone interact. energy: 0.315
local terms energy: -65.638028
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -87.930743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.930743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.930743 (E_RNA)
where:
Base-Base interactions energy: -44.783
where: short stacking energy: -28.661
Base-Backbone interact. energy: -0.228
local terms energy: -42.919738
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -3.919
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -88.333011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.333011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.333011 (E_RNA)
where:
Base-Base interactions energy: -43.453
where: short stacking energy: -22.499
Base-Backbone interact. energy: -0.417
local terms energy: -44.463471
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -231.913339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.913339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.913339 (E_RNA)
where:
Base-Base interactions energy: -145.155
where: short stacking energy: -76.228
Base-Backbone interact. energy: -0.002
local terms energy: -86.756064
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -222.043235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.043235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.043235 (E_RNA)
where:
Base-Base interactions energy: -141.605
where: short stacking energy: -72.949
Base-Backbone interact. energy: 0.335
local terms energy: -80.773219
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -24.340
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: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -207.772654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.772654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.772654 (E_RNA)
where:
Base-Base interactions energy: -138.354
where: short stacking energy: -70.424
Base-Backbone interact. energy: -0.014
local terms energy: -69.404662
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -193.308043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.308043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.308043 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.666
local terms energy: -67.210347
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -203.943516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.943516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.943516 (E_RNA)
where:
Base-Base interactions energy: -130.160
where: short stacking energy: -68.906
Base-Backbone interact. energy: -0.001
local terms energy: -73.783200
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -12.074
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: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -154.017165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.017165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.017165 (E_RNA)
where:
Base-Base interactions energy: -91.922
where: short stacking energy: -47.370
Base-Backbone interact. energy: -0.076
local terms energy: -62.019045
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -12.848
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: 7
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -93.435943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435943 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -29.599
Base-Backbone interact. energy: -0.357
local terms energy: -52.720319
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -101.695889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.695889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.695889 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -38.498
Base-Backbone interact. energy: -0.228
local terms energy: -61.380196
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -87.503468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.503468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.503468 (E_RNA)
where:
Base-Base interactions energy: -38.310
where: short stacking energy: -30.060
Base-Backbone interact. energy: -1.334
local terms energy: -47.858982
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -86.574785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.574785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.574785 (E_RNA)
where:
Base-Base interactions energy: -27.024
where: short stacking energy: -26.412
Base-Backbone interact. energy: -0.387
local terms energy: -59.163634
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -225.522073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.522073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.522073 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -81.522
Base-Backbone interact. energy: -0.002
local terms energy: -85.065847
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -23.620
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: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -209.818478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.818478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.818478 (E_RNA)
where:
Base-Base interactions energy: -132.269
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.548
local terms energy: -77.001549
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -212.158304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.158304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.158304 (E_RNA)
where:
Base-Base interactions energy: -133.995
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.022
local terms energy: -78.142194
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -12.418
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: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -193.377231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.377231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.377231 (E_RNA)
where:
Base-Base interactions energy: -127.266
where: short stacking energy: -69.355
Base-Backbone interact. energy: -0.065
local terms energy: -66.046259
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -10.528
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: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -218.080635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.080635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.080635 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.056
local terms energy: -78.752979
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -147.798308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.798308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.798308 (E_RNA)
where:
Base-Base interactions energy: -88.474
where: short stacking energy: -33.576
Base-Backbone interact. energy: -0.103
local terms energy: -59.220880
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -117.415373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.415373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.415373 (E_RNA)
where:
Base-Base interactions energy: -56.520
where: short stacking energy: -30.740
Base-Backbone interact. energy: -0.276
local terms energy: -60.618872
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -85.883276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.883276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.883276 (E_RNA)
where:
Base-Base interactions energy: -36.826
where: short stacking energy: -34.365
Base-Backbone interact. energy: 0.184
local terms energy: -49.241105
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -86.022562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.022562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.022562 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -33.426
Base-Backbone interact. energy: 0.409
local terms energy: -52.761121
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.707
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: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -83.196911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.196911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.196911 (E_RNA)
where:
Base-Base interactions energy: -39.664
where: short stacking energy: -27.478
Base-Backbone interact. energy: -1.227
local terms energy: -42.306400
where:
bonds (distance) C4'-P energy: -5.813
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -219.470513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.470513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.470513 (E_RNA)
where:
Base-Base interactions energy: -140.944
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.005
local terms energy: -78.521915
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -215.454417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.454417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.454417 (E_RNA)
where:
Base-Base interactions energy: -136.575
where: short stacking energy: -71.358
Base-Backbone interact. energy: -0.497
local terms energy: -78.382787
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -188.679129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679129 (E_RNA)
where:
Base-Base interactions energy: -116.974
where: short stacking energy: -62.937
Base-Backbone interact. energy: -0.087
local terms energy: -71.617441
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -231.931942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.931942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.931942 (E_RNA)
where:
Base-Base interactions energy: -140.763
where: short stacking energy: -85.576
Base-Backbone interact. energy: 0.547
local terms energy: -91.716043
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -26.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -187.366884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.366884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.366884 (E_RNA)
where:
Base-Base interactions energy: -112.542
where: short stacking energy: -57.514
Base-Backbone interact. energy: -0.159
local terms energy: -74.665128
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -113.641441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.641441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.641441 (E_RNA)
where:
Base-Base interactions energy: -51.774
where: short stacking energy: -28.784
Base-Backbone interact. energy: -0.352
local terms energy: -61.515802
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -155.487349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.487349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.487349 (E_RNA)
where:
Base-Base interactions energy: -94.978
where: short stacking energy: -49.429
Base-Backbone interact. energy: -0.282
local terms energy: -60.228294
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -6.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -87.907777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.907777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.907777 (E_RNA)
where:
Base-Base interactions energy: -40.312
where: short stacking energy: -14.867
Base-Backbone interact. energy: -0.033
local terms energy: -47.562968
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -94.790512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.790512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.790512 (E_RNA)
where:
Base-Base interactions energy: -41.464
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.355
local terms energy: -52.971837
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -81.178463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.178463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.178463 (E_RNA)
where:
Base-Base interactions energy: -30.533
where: short stacking energy: -30.533
Base-Backbone interact. energy: -0.396
local terms energy: -50.250221
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -3.161
tors. eta vs tors. theta energy: -3.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -220.497998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.497998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.497998 (E_RNA)
where:
Base-Base interactions energy: -136.045
where: short stacking energy: -69.474
Base-Backbone interact. energy: -0.197
local terms energy: -84.256579
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -225.422850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.422850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.422850 (E_RNA)
where:
Base-Base interactions energy: -142.038
where: short stacking energy: -81.521
Base-Backbone interact. energy: -0.063
local terms energy: -83.321688
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -218.528574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.528574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.528574 (E_RNA)
where:
Base-Base interactions energy: -140.161
where: short stacking energy: -73.492
Base-Backbone interact. energy: -0.006
local terms energy: -78.361764
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -11.587
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: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -213.250449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.250449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.250449 (E_RNA)
where:
Base-Base interactions energy: -135.037
where: short stacking energy: -76.757
Base-Backbone interact. energy: -0.009
local terms energy: -78.204947
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -193.864929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864929 (E_RNA)
where:
Base-Base interactions energy: -124.162
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.160
local terms energy: -69.542999
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -13.437
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: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -97.203579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.203579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.203579 (E_RNA)
where:
Base-Base interactions energy: -41.480
where: short stacking energy: -30.147
Base-Backbone interact. energy: -0.113
local terms energy: -55.610931
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -101.167189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.167189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.167189 (E_RNA)
where:
Base-Base interactions energy: -40.531
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.146
local terms energy: -60.490523
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -5.652
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: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -166.965577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.965577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.965577 (E_RNA)
where:
Base-Base interactions energy: -95.343
where: short stacking energy: -45.589
Base-Backbone interact. energy: -0.161
local terms energy: -71.462186
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -81.510788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.510788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.510788 (E_RNA)
where:
Base-Base interactions energy: -31.840
where: short stacking energy: -31.840
Base-Backbone interact. energy: 1.337
local terms energy: -51.007963
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -85.842021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.842021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.842021 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -34.812
Base-Backbone interact. energy: -0.066
local terms energy: -47.835424
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -2.469
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -232.518545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.518545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.518545 (E_RNA)
where:
Base-Base interactions energy: -145.050
where: short stacking energy: -81.607
Base-Backbone interact. energy: -0.007
local terms energy: -87.461994
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -24.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -223.993727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.993727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.993727 (E_RNA)
where:
Base-Base interactions energy: -136.880
where: short stacking energy: -70.402
Base-Backbone interact. energy: -0.001
local terms energy: -87.113311
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -219.236674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.236674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.236674 (E_RNA)
where:
Base-Base interactions energy: -145.701
where: short stacking energy: -77.494
Base-Backbone interact. energy: -0.024
local terms energy: -73.511475
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -12.160
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: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -207.958787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.958787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.958787 (E_RNA)
where:
Base-Base interactions energy: -131.270
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.654
local terms energy: -76.034435
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -204.933795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.933795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.933795 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.581
local terms energy: -82.100977
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -104.069715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.069715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.069715 (E_RNA)
where:
Base-Base interactions energy: -46.837
where: short stacking energy: -37.638
Base-Backbone interact. energy: -0.009
local terms energy: -57.224421
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -14.263
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: 7, replica: 8
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -112.351810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.351810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.351810 (E_RNA)
where:
Base-Base interactions energy: -61.755
where: short stacking energy: -38.409
Base-Backbone interact. energy: -0.151
local terms energy: -50.445747
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -5.749
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -168.215896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.215896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.215896 (E_RNA)
where:
Base-Base interactions energy: -101.242
where: short stacking energy: -46.828
Base-Backbone interact. energy: -0.032
local terms energy: -66.942365
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -10.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -104.849278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.849278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.849278 (E_RNA)
where:
Base-Base interactions energy: -50.102
where: short stacking energy: -35.993
Base-Backbone interact. energy: -0.179
local terms energy: -54.568141
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -103.155708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.155708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.155708 (E_RNA)
where:
Base-Base interactions energy: -59.587
where: short stacking energy: -44.245
Base-Backbone interact. energy: -0.015
local terms energy: -43.553465
where:
bonds (distance) C4'-P energy: -4.276
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -5.773
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: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -226.250890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.250890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.250890 (E_RNA)
where:
Base-Base interactions energy: -138.536
where: short stacking energy: -82.635
Base-Backbone interact. energy: -0.270
local terms energy: -87.444624
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -22.620
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: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -218.999458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.999458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.999458 (E_RNA)
where:
Base-Base interactions energy: -139.897
where: short stacking energy: -75.115
Base-Backbone interact. energy: -0.119
local terms energy: -78.983659
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -215.063707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.063707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.063707 (E_RNA)
where:
Base-Base interactions energy: -131.234
where: short stacking energy: -65.599
Base-Backbone interact. energy: -0.503
local terms energy: -83.327240
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -23.031
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: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -218.397508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.397508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.397508 (E_RNA)
where:
Base-Base interactions energy: -144.696
where: short stacking energy: -81.698
Base-Backbone interact. energy: -0.290
local terms energy: -73.411617
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -12.296
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -205.641451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.641451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.641451 (E_RNA)
where:
Base-Base interactions energy: -127.359
where: short stacking energy: -67.901
Base-Backbone interact. energy: -0.008
local terms energy: -78.274527
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -23.571
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: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -116.319714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.319714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.319714 (E_RNA)
where:
Base-Base interactions energy: -50.735
where: short stacking energy: -50.735
Base-Backbone interact. energy: -0.016
local terms energy: -65.568907
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -10.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -186.170122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.170122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.170122 (E_RNA)
where:
Base-Base interactions energy: -116.770
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.367
local terms energy: -69.032402
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -90.469221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.469221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.469221 (E_RNA)
where:
Base-Base interactions energy: -28.462
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.188
local terms energy: -61.819317
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -85.614749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.614749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.614749 (E_RNA)
where:
Base-Base interactions energy: -35.214
where: short stacking energy: -34.928
Base-Backbone interact. energy: 1.526
local terms energy: -51.927277
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -3.482
tors. eta vs tors. theta energy: -8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -89.636102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.636102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.636102 (E_RNA)
where:
Base-Base interactions energy: -36.254
where: short stacking energy: -36.254
Base-Backbone interact. energy: 0.889
local terms energy: -54.271263
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -7.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -223.065692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.065692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.065692 (E_RNA)
where:
Base-Base interactions energy: -139.802
where: short stacking energy: -82.278
Base-Backbone interact. energy: -0.032
local terms energy: -83.231923
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -224.398350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.398350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.398350 (E_RNA)
where:
Base-Base interactions energy: -144.532
where: short stacking energy: -81.556
Base-Backbone interact. energy: -0.021
local terms energy: -79.845193
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -210.941593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.941593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.941593 (E_RNA)
where:
Base-Base interactions energy: -138.082
where: short stacking energy: -72.537
Base-Backbone interact. energy: -0.088
local terms energy: -72.771754
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -8.773
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: 4, replica: 4
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -198.452423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.452423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.452423 (E_RNA)
where:
Base-Base interactions energy: -125.808
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.176
local terms energy: -72.468017
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -11.485
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: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -193.242927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.242927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.242927 (E_RNA)
where:
Base-Base interactions energy: -119.018
where: short stacking energy: -69.110
Base-Backbone interact. energy: -0.590
local terms energy: -73.634943
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -23.495
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: 6, replica: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -176.560042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.560042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.560042 (E_RNA)
where:
Base-Base interactions energy: -112.339
where: short stacking energy: -51.594
Base-Backbone interact. energy: -0.140
local terms energy: -64.080623
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -84.775370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775370 (E_RNA)
where:
Base-Base interactions energy: -30.237
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.131
local terms energy: -54.407264
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -100.719432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.719432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.719432 (E_RNA)
where:
Base-Base interactions energy: -39.491
where: short stacking energy: -39.491
Base-Backbone interact. energy: -0.106
local terms energy: -61.122447
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -10.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -90.098254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.098254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.098254 (E_RNA)
where:
Base-Base interactions energy: -32.666
where: short stacking energy: -29.975
Base-Backbone interact. energy: -0.219
local terms energy: -57.212714
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -10.005
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: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -76.718546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.718546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.718546 (E_RNA)
where:
Base-Base interactions energy: -30.803
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.044
local terms energy: -45.870758
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -234.851758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.851758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.851758 (E_RNA)
where:
Base-Base interactions energy: -150.232
where: short stacking energy: -87.425
Base-Backbone interact. energy: -0.019
local terms energy: -84.600834
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -25.525
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: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -216.917440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.917440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917440 (E_RNA)
where:
Base-Base interactions energy: -140.602
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.076
local terms energy: -76.238658
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -16.961
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: 10
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -207.724080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.724080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.724080 (E_RNA)
where:
Base-Base interactions energy: -129.293
where: short stacking energy: -66.104
Base-Backbone interact. energy: -0.030
local terms energy: -78.400503
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -196.665430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.665430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.665430 (E_RNA)
where:
Base-Base interactions energy: -123.203
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.015
local terms energy: -73.447398
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -175.983497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.983497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.983497 (E_RNA)
where:
Base-Base interactions energy: -106.413
where: short stacking energy: -54.283
Base-Backbone interact. energy: -0.138
local terms energy: -69.433053
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -17.612
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: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -188.247016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.247016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.247016 (E_RNA)
where:
Base-Base interactions energy: -116.365
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.000
local terms energy: -71.881080
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -14.813
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: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -111.811230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.811230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.811230 (E_RNA)
where:
Base-Base interactions energy: -43.378
where: short stacking energy: -41.943
Base-Backbone interact. energy: -0.200
local terms energy: -68.232798
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -10.121
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: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -104.365280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.365280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.365280 (E_RNA)
where:
Base-Base interactions energy: -47.287
where: short stacking energy: -43.285
Base-Backbone interact. energy: -0.119
local terms energy: -56.959329
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -80.773299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.773299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.773299 (E_RNA)
where:
Base-Base interactions energy: -29.693
where: short stacking energy: -18.747
Base-Backbone interact. energy: -0.442
local terms energy: -50.638759
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -89.073158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.073158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.073158 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -30.222
Base-Backbone interact. energy: -0.027
local terms energy: -58.824538
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -232.339884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.339884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.339884 (E_RNA)
where:
Base-Base interactions energy: -145.606
where: short stacking energy: -81.763
Base-Backbone interact. energy: -0.042
local terms energy: -86.691827
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -220.767655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.767655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.767655 (E_RNA)
where:
Base-Base interactions energy: -141.574
where: short stacking energy: -76.296
Base-Backbone interact. energy: -0.045
local terms energy: -79.148168
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -20.713
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: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -214.632886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.632886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.632886 (E_RNA)
where:
Base-Base interactions energy: -129.240
where: short stacking energy: -74.824
Base-Backbone interact. energy: -0.048
local terms energy: -85.344724
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -224.947729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.947729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.947729 (E_RNA)
where:
Base-Base interactions energy: -140.695
where: short stacking energy: -81.603
Base-Backbone interact. energy: -0.003
local terms energy: -84.249688
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -189.635568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.635568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.635568 (E_RNA)
where:
Base-Base interactions energy: -117.020
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.515
local terms energy: -72.101133
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -182.249101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.249101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.249101 (E_RNA)
where:
Base-Base interactions energy: -115.595
where: short stacking energy: -58.168
Base-Backbone interact. energy: 0.452
local terms energy: -67.106808
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -109.856558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.856558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.856558 (E_RNA)
where:
Base-Base interactions energy: -49.793
where: short stacking energy: -48.261
Base-Backbone interact. energy: -0.006
local terms energy: -60.057764
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -8.490
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: 2
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -114.159112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.159112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.159112 (E_RNA)
where:
Base-Base interactions energy: -57.185
where: short stacking energy: -49.579
Base-Backbone interact. energy: -0.117
local terms energy: -56.856713
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -7.322
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: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -79.602504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.602504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.602504 (E_RNA)
where:
Base-Base interactions energy: -28.566
where: short stacking energy: -28.566
Base-Backbone interact. energy: -0.005
local terms energy: -51.031272
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -78.676689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.676689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.676689 (E_RNA)
where:
Base-Base interactions energy: -34.231
where: short stacking energy: -34.231
Base-Backbone interact. energy: -0.100
local terms energy: -44.345792
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -4.283
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: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -230.533014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.533014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.533014 (E_RNA)
where:
Base-Base interactions energy: -142.473
where: short stacking energy: -77.853
Base-Backbone interact. energy: -0.020
local terms energy: -88.039817
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -21.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -216.480758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.480758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.480758 (E_RNA)
where:
Base-Base interactions energy: -135.183
where: short stacking energy: -72.651
Base-Backbone interact. energy: 0.985
local terms energy: -82.282034
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -23.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -201.357042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.357042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.357042 (E_RNA)
where:
Base-Base interactions energy: -124.917
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.124
local terms energy: -76.315410
where:
bonds (distance) C4'-P energy: -15.687
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -216.973795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.973795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.973795 (E_RNA)
where:
Base-Base interactions energy: -134.586
where: short stacking energy: -72.275
Base-Backbone interact. energy: -0.000
local terms energy: -82.387158
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -183.143550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.143550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.143550 (E_RNA)
where:
Base-Base interactions energy: -116.514
where: short stacking energy: -55.991
Base-Backbone interact. energy: -1.348
local terms energy: -65.281298
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -192.262144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.262144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.262144 (E_RNA)
where:
Base-Base interactions energy: -125.510
where: short stacking energy: -54.720
Base-Backbone interact. energy: -0.047
local terms energy: -66.705585
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -102.964458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.964458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.964458 (E_RNA)
where:
Base-Base interactions energy: -45.060
where: short stacking energy: -45.060
Base-Backbone interact. energy: -0.014
local terms energy: -57.891163
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -88.252257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.252257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.252257 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -29.278
Base-Backbone interact. energy: -0.310
local terms energy: -54.922695
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -88.143927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.143927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.143927 (E_RNA)
where:
Base-Base interactions energy: -39.092
where: short stacking energy: -35.464
Base-Backbone interact. energy: -0.162
local terms energy: -48.889396
where:
bonds (distance) C4'-P energy: -6.434
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -86.970235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.970235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.970235 (E_RNA)
where:
Base-Base interactions energy: -32.767
where: short stacking energy: -27.414
Base-Backbone interact. energy: -0.133
local terms energy: -54.070502
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -209.172437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.172437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.172437 (E_RNA)
where:
Base-Base interactions energy: -128.470
where: short stacking energy: -72.112
Base-Backbone interact. energy: -0.036
local terms energy: -80.666162
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -208.887150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.887150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.887150 (E_RNA)
where:
Base-Base interactions energy: -129.809
where: short stacking energy: -69.570
Base-Backbone interact. energy: -0.070
local terms energy: -79.008625
where:
bonds (distance) C4'-P energy: -16.970
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -220.548239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.548239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.548239 (E_RNA)
where:
Base-Base interactions energy: -138.508
where: short stacking energy: -76.460
Base-Backbone interact. energy: -0.026
local terms energy: -82.013550
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -24.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -214.769482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.769482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.769482 (E_RNA)
where:
Base-Base interactions energy: -134.896
where: short stacking energy: -75.905
Base-Backbone interact. energy: -0.005
local terms energy: -79.868979
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -10.410
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: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -167.040568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.040568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.040568 (E_RNA)
where:
Base-Base interactions energy: -104.985
where: short stacking energy: -56.069
Base-Backbone interact. energy: -0.156
local terms energy: -61.899564
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -192.890399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.890399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.890399 (E_RNA)
where:
Base-Base interactions energy: -124.245
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.006
local terms energy: -68.638900
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -124.681614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.681614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.681614 (E_RNA)
where:
Base-Base interactions energy: -73.935
where: short stacking energy: -53.041
Base-Backbone interact. energy: -0.052
local terms energy: -50.694645
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -10.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -89.916162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.916162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.916162 (E_RNA)
where:
Base-Base interactions energy: -30.799
where: short stacking energy: -30.799
Base-Backbone interact. energy: 0.012
local terms energy: -59.129809
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -84.207391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.207391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.207391 (E_RNA)
where:
Base-Base interactions energy: -42.665
where: short stacking energy: -29.926
Base-Backbone interact. energy: -0.761
local terms energy: -40.781462
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: 1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.364887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.364887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.364887 (E_RNA)
where:
Base-Base interactions energy: -23.954
where: short stacking energy: -21.251
Base-Backbone interact. energy: -0.177
local terms energy: -49.234693
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -213.943643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.943643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.943643 (E_RNA)
where:
Base-Base interactions energy: -140.292
where: short stacking energy: -63.140
Base-Backbone interact. energy: -0.298
local terms energy: -73.354211
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -17.704
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: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -210.364648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.364648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.364648 (E_RNA)
where:
Base-Base interactions energy: -135.725
where: short stacking energy: -72.707
Base-Backbone interact. energy: -0.003
local terms energy: -74.637292
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -9.785
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: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -224.971484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.971484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.971484 (E_RNA)
where:
Base-Base interactions energy: -143.897
where: short stacking energy: -76.101
Base-Backbone interact. energy: 0.198
local terms energy: -81.272268
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -23.586
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: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -212.936340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.936340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.936340 (E_RNA)
where:
Base-Base interactions energy: -132.372
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.648
local terms energy: -79.916018
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -188.102386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.102386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.102386 (E_RNA)
where:
Base-Base interactions energy: -116.821
where: short stacking energy: -56.265
Base-Backbone interact. energy: -0.053
local terms energy: -71.228048
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -10.065
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: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -161.790725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.790725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.790725 (E_RNA)
where:
Base-Base interactions energy: -102.196
where: short stacking energy: -50.009
Base-Backbone interact. energy: 0.316
local terms energy: -59.910427
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -95.104575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.104575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.104575 (E_RNA)
where:
Base-Base interactions energy: -36.907
where: short stacking energy: -36.907
Base-Backbone interact. energy: 2.404
local terms energy: -60.602215
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -89.595310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.595310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.595310 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -35.447
Base-Backbone interact. energy: -0.209
local terms energy: -53.938776
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -99.002204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.002204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.002204 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -40.270
Base-Backbone interact. energy: 0.476
local terms energy: -59.208515
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -81.008566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.008566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.008566 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -32.358
Base-Backbone interact. energy: -0.295
local terms energy: -48.355271
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -224.986950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.986950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.986950 (E_RNA)
where:
Base-Base interactions energy: -142.705
where: short stacking energy: -78.071
Base-Backbone interact. energy: -0.002
local terms energy: -82.280648
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -23.755
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: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -221.184098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.184098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.184098 (E_RNA)
where:
Base-Base interactions energy: -136.857
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.260
local terms energy: -84.067723
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -204.603443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.603443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.603443 (E_RNA)
where:
Base-Base interactions energy: -134.442
where: short stacking energy: -73.629
Base-Backbone interact. energy: -0.056
local terms energy: -70.105800
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -12.948
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: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -215.877388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.877388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.877388 (E_RNA)
where:
Base-Base interactions energy: -135.684
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.082
local terms energy: -80.111699
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -197.761949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.761949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.761949 (E_RNA)
where:
Base-Base interactions energy: -119.068
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.026
local terms energy: -78.667828
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -190.247285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.247285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.247285 (E_RNA)
where:
Base-Base interactions energy: -120.447
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.165
local terms energy: -69.635548
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -101.843047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.843047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.843047 (E_RNA)
where:
Base-Base interactions energy: -47.772
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.006
local terms energy: -54.064758
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -3.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -83.499307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.499307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.499307 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -32.407
Base-Backbone interact. energy: -0.018
local terms energy: -45.859838
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -1.555
tors. eta vs tors. theta energy: -3.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -82.142179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.142179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.142179 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -37.320
Base-Backbone interact. energy: -0.040
local terms energy: -44.587784
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: 0.226
tors. eta vs tors. theta energy: -3.319
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: 441
Temperature: 1.350000
Total energy: -84.611828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.611828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.611828 (E_RNA)
where:
Base-Base interactions energy: -35.603
where: short stacking energy: -35.603
Base-Backbone interact. energy: -0.093
local terms energy: -48.916074
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -1.444
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: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -233.789783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.789783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.789783 (E_RNA)
where:
Base-Base interactions energy: -147.604
where: short stacking energy: -88.483
Base-Backbone interact. energy: -0.294
local terms energy: -85.891804
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -219.182353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.182353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.182353 (E_RNA)
where:
Base-Base interactions energy: -148.808
where: short stacking energy: -75.507
Base-Backbone interact. energy: -0.012
local terms energy: -70.362460
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -7.260
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -23.264
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: 442
Temperature: 1.000000
Total energy: -225.796618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.796618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.796618 (E_RNA)
where:
Base-Base interactions energy: -138.417
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.028
local terms energy: -87.351954
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -12.837
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: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -208.955769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.955769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.955769 (E_RNA)
where:
Base-Base interactions energy: -133.484
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.031
local terms energy: -75.440677
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -21.294
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: 442
Temperature: 1.100000
Total energy: -194.013633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.013633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.013633 (E_RNA)
where:
Base-Base interactions energy: -115.749
where: short stacking energy: -65.373
Base-Backbone interact. energy: -0.001
local terms energy: -78.263758
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -174.174995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.174995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.174995 (E_RNA)
where:
Base-Base interactions energy: -101.065
where: short stacking energy: -52.972
Base-Backbone interact. energy: -0.343
local terms energy: -72.767259
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -113.021340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.021340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.021340 (E_RNA)
where:
Base-Base interactions energy: -52.776
where: short stacking energy: -52.776
Base-Backbone interact. energy: -0.012
local terms energy: -60.233098
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -81.754238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.754238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.754238 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -30.703
Base-Backbone interact. energy: 1.067
local terms energy: -50.192854
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -4.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -91.172566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.172566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.172566 (E_RNA)
where:
Base-Base interactions energy: -26.855
where: short stacking energy: -26.523
Base-Backbone interact. energy: -0.026
local terms energy: -64.291917
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -77.672174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.672174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.672174 (E_RNA)
where:
Base-Base interactions energy: -30.885
where: short stacking energy: -29.544
Base-Backbone interact. energy: -0.157
local terms energy: -46.630563
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -231.870732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.870732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.870732 (E_RNA)
where:
Base-Base interactions energy: -146.752
where: short stacking energy: -84.977
Base-Backbone interact. energy: -0.007
local terms energy: -85.111568
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -24.197
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: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -221.624227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.624227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.624227 (E_RNA)
where:
Base-Base interactions energy: -138.093
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.006
local terms energy: -83.525266
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -224.910979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.910979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.910979 (E_RNA)
where:
Base-Base interactions energy: -142.188
where: short stacking energy: -75.387
Base-Backbone interact. energy: -0.017
local terms energy: -82.705026
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -214.235997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.235997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.235997 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -62.918
Base-Backbone interact. energy: 1.695
local terms energy: -78.823505
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -14.250
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: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -196.468701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.468701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.468701 (E_RNA)
where:
Base-Base interactions energy: -125.017
where: short stacking energy: -63.381
Base-Backbone interact. energy: 0.113
local terms energy: -71.563977
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -12.234
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -103.638125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.638125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.638125 (E_RNA)
where:
Base-Base interactions energy: -51.523
where: short stacking energy: -51.523
Base-Backbone interact. energy: -0.061
local terms energy: -52.054246
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -9.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -139.409959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.409959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.409959 (E_RNA)
where:
Base-Base interactions energy: -79.418
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.220
local terms energy: -59.771517
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -6.242
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: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -90.878584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.878584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.878584 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -28.143
Base-Backbone interact. energy: -0.051
local terms energy: -56.085804
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -81.400644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.400644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.400644 (E_RNA)
where:
Base-Base interactions energy: -27.329
where: short stacking energy: -25.152
Base-Backbone interact. energy: -0.172
local terms energy: -53.900262
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -83.403623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.403623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.403623 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -27.793
Base-Backbone interact. energy: -0.146
local terms energy: -56.264891
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -232.362934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.362934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.362934 (E_RNA)
where:
Base-Base interactions energy: -149.873
where: short stacking energy: -83.719
Base-Backbone interact. energy: 0.888
local terms energy: -83.377782
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -223.859559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.859559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.859559 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -79.668
Base-Backbone interact. energy: -0.084
local terms energy: -77.550331
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -225.691624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.691624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.691624 (E_RNA)
where:
Base-Base interactions energy: -144.084
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.033
local terms energy: -81.574966
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -216.741469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.741469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.741469 (E_RNA)
where:
Base-Base interactions energy: -142.924
where: short stacking energy: -79.713
Base-Backbone interact. energy: -0.006
local terms energy: -73.811690
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -195.437662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.437662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.437662 (E_RNA)
where:
Base-Base interactions energy: -118.280
where: short stacking energy: -62.467
Base-Backbone interact. energy: -0.094
local terms energy: -77.063657
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -15.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -95.081365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.081365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.081365 (E_RNA)
where:
Base-Base interactions energy: -43.900
where: short stacking energy: -39.715
Base-Backbone interact. energy: 1.465
local terms energy: -52.645910
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -8.657
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -145.069617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.069617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.069617 (E_RNA)
where:
Base-Base interactions energy: -84.953
where: short stacking energy: -42.288
Base-Backbone interact. energy: 1.643
local terms energy: -61.760234
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -12.753
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: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -101.606373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.606373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.606373 (E_RNA)
where:
Base-Base interactions energy: -42.280
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.059
local terms energy: -59.267903
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -80.850342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.850342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.850342 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -24.341
Base-Backbone interact. energy: -0.403
local terms energy: -43.785602
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: 3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -79.790054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.790054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.790054 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -29.306
Base-Backbone interact. energy: -0.079
local terms energy: -50.283045
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -3.737
flat angles P-C4'-P energy: -11.823
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: 1, replica: 10
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -221.723482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.723482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.723482 (E_RNA)
where:
Base-Base interactions energy: -142.336
where: short stacking energy: -78.712
Base-Backbone interact. energy: -0.015
local terms energy: -79.372398
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -224.311660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.311660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.311660 (E_RNA)
where:
Base-Base interactions energy: -147.645
where: short stacking energy: -77.886
Base-Backbone interact. energy: -0.033
local terms energy: -76.633451
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -204.386882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.386882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.386882 (E_RNA)
where:
Base-Base interactions energy: -130.291
where: short stacking energy: -68.814
Base-Backbone interact. energy: -0.636
local terms energy: -73.460370
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -199.059013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.059013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.059013 (E_RNA)
where:
Base-Base interactions energy: -120.436
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.002
local terms energy: -78.621441
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -190.414895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.414895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.414895 (E_RNA)
where:
Base-Base interactions energy: -119.011
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.026
local terms energy: -71.378728
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -9.476
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: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -165.788499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.788499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.788499 (E_RNA)
where:
Base-Base interactions energy: -97.857
where: short stacking energy: -52.634
Base-Backbone interact. energy: 0.370
local terms energy: -68.301861
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -95.417416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.417416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.417416 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -35.345
Base-Backbone interact. energy: -0.151
local terms energy: -59.921604
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -79.631786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.631786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.631786 (E_RNA)
where:
Base-Base interactions energy: -30.540
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.140
local terms energy: -48.952363
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -99.499593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.499593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.499593 (E_RNA)
where:
Base-Base interactions energy: -36.740
where: short stacking energy: -36.740
Base-Backbone interact. energy: -0.149
local terms energy: -62.611452
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -81.067294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.067294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.067294 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -33.949
Base-Backbone interact. energy: -0.098
local terms energy: -47.020653
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -5.332
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -230.275829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.275829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.275829 (E_RNA)
where:
Base-Base interactions energy: -140.763
where: short stacking energy: -82.332
Base-Backbone interact. energy: -0.007
local terms energy: -89.504982
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -24.528
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: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -221.300765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.300765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.300765 (E_RNA)
where:
Base-Base interactions energy: -140.118
where: short stacking energy: -78.486
Base-Backbone interact. energy: -0.004
local terms energy: -81.178284
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -215.879365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.879365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.879365 (E_RNA)
where:
Base-Base interactions energy: -135.959
where: short stacking energy: -70.880
Base-Backbone interact. energy: 0.053
local terms energy: -79.973910
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -14.241
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: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -214.325366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.325366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.325366 (E_RNA)
where:
Base-Base interactions energy: -137.734
where: short stacking energy: -71.737
Base-Backbone interact. energy: -0.048
local terms energy: -76.543792
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -11.925
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: 5, replica: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -187.070193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.070193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.070193 (E_RNA)
where:
Base-Base interactions energy: -113.629
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.681
local terms energy: -72.760846
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -19.612
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: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -186.085880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.085880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.085880 (E_RNA)
where:
Base-Base interactions energy: -105.361
where: short stacking energy: -58.126
Base-Backbone interact. energy: -0.051
local terms energy: -80.674117
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -110.489381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.489381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.489381 (E_RNA)
where:
Base-Base interactions energy: -45.632
where: short stacking energy: -42.350
Base-Backbone interact. energy: -0.075
local terms energy: -64.782314
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -108.070443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.070443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.070443 (E_RNA)
where:
Base-Base interactions energy: -57.462
where: short stacking energy: -37.715
Base-Backbone interact. energy: -0.167
local terms energy: -50.441313
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -4.009
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: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -91.188847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188847 (E_RNA)
where:
Base-Base interactions energy: -35.059
where: short stacking energy: -35.059
Base-Backbone interact. energy: -0.121
local terms energy: -56.008182
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -1.769
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -74.384022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.384022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.384022 (E_RNA)
where:
Base-Base interactions energy: -24.943
where: short stacking energy: -24.943
Base-Backbone interact. energy: 0.233
local terms energy: -49.674073
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -1.818
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: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -228.965680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.965680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.965680 (E_RNA)
where:
Base-Base interactions energy: -150.939
where: short stacking energy: -87.825
Base-Backbone interact. energy: -0.009
local terms energy: -78.017352
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -23.807
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: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -217.019390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.019390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.019390 (E_RNA)
where:
Base-Base interactions energy: -135.696
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.007
local terms energy: -81.316252
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -19.282
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: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -215.092409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.092409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092409 (E_RNA)
where:
Base-Base interactions energy: -135.103
where: short stacking energy: -72.268
Base-Backbone interact. energy: -0.197
local terms energy: -79.792805
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -11.589
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: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -206.057529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.057529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.057529 (E_RNA)
where:
Base-Base interactions energy: -128.911
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.198
local terms energy: -76.948350
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -20.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -175.752420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.752420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.752420 (E_RNA)
where:
Base-Base interactions energy: -109.528
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.012
local terms energy: -66.212727
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -203.253739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.253739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.253739 (E_RNA)
where:
Base-Base interactions energy: -124.844
where: short stacking energy: -74.531
Base-Backbone interact. energy: -0.001
local terms energy: -78.408492
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.461
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: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -97.063715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.063715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.063715 (E_RNA)
where:
Base-Base interactions energy: -42.570
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.087
local terms energy: -54.407169
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -7.266
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: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -97.425562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.425562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.425562 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -28.698
Base-Backbone interact. energy: -0.097
local terms energy: -50.287399
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -7.373
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: 2
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -83.370985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.370985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.370985 (E_RNA)
where:
Base-Base interactions energy: -26.138
where: short stacking energy: -26.138
Base-Backbone interact. energy: -0.065
local terms energy: -57.167623
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -90.144585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.144585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.144585 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -34.962
Base-Backbone interact. energy: 1.214
local terms energy: -52.730465
where:
bonds (distance) C4'-P energy: -7.348
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -7.795
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: 448
Temperature: 0.900000
Total energy: -225.433895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.433895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.433895 (E_RNA)
where:
Base-Base interactions energy: -139.673
where: short stacking energy: -77.307
Base-Backbone interact. energy: -0.001
local terms energy: -85.759232
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -24.251
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: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -222.457728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.457728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.457728 (E_RNA)
where:
Base-Base interactions energy: -137.130
where: short stacking energy: -77.568
Base-Backbone interact. energy: -0.381
local terms energy: -84.946006
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -22.321
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: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -207.804724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.804724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.804724 (E_RNA)
where:
Base-Base interactions energy: -129.996
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.044
local terms energy: -77.764306
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -210.661035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.661035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.661035 (E_RNA)
where:
Base-Base interactions energy: -135.069
where: short stacking energy: -73.187
Base-Backbone interact. energy: 0.054
local terms energy: -75.645411
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -214.345817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.345817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.345817 (E_RNA)
where:
Base-Base interactions energy: -133.505
where: short stacking energy: -76.795
Base-Backbone interact. energy: -0.013
local terms energy: -80.827249
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -172.003112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.003112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.003112 (E_RNA)
where:
Base-Base interactions energy: -111.242
where: short stacking energy: -53.400
Base-Backbone interact. energy: -0.656
local terms energy: -60.105329
where:
bonds (distance) C4'-P energy: -8.795
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -109.768283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.768283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.768283 (E_RNA)
where:
Base-Base interactions energy: -55.537
where: short stacking energy: -36.159
Base-Backbone interact. energy: -0.105
local terms energy: -54.126089
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -86.458960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458960 (E_RNA)
where:
Base-Base interactions energy: -29.461
where: short stacking energy: -29.461
Base-Backbone interact. energy: 1.390
local terms energy: -58.387776
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -99.356575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.356575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.356575 (E_RNA)
where:
Base-Base interactions energy: -43.602
where: short stacking energy: -37.255
Base-Backbone interact. energy: -0.176
local terms energy: -55.578298
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -78.668767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.668767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.668767 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -28.651
Base-Backbone interact. energy: -0.239
local terms energy: -49.778613
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -211.088451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088451 (E_RNA)
where:
Base-Base interactions energy: -138.667
where: short stacking energy: -63.567
Base-Backbone interact. energy: -0.040
local terms energy: -72.381664
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -221.081703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.081703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.081703 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -77.676
Base-Backbone interact. energy: -0.305
local terms energy: -74.774725
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -23.003
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: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -224.301312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.301312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.301312 (E_RNA)
where:
Base-Base interactions energy: -142.102
where: short stacking energy: -76.270
Base-Backbone interact. energy: -0.006
local terms energy: -82.192957
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -22.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -209.091372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.091372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.091372 (E_RNA)
where:
Base-Base interactions energy: -136.319
where: short stacking energy: -76.956
Base-Backbone interact. energy: -0.152
local terms energy: -72.620693
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -190.361442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.361442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.361442 (E_RNA)
where:
Base-Base interactions energy: -115.801
where: short stacking energy: -61.499
Base-Backbone interact. energy: -0.412
local terms energy: -74.148829
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -180.659010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.659010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.659010 (E_RNA)
where:
Base-Base interactions energy: -114.188
where: short stacking energy: -57.234
Base-Backbone interact. energy: 0.053
local terms energy: -66.524631
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -122.505669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.505669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.505669 (E_RNA)
where:
Base-Base interactions energy: -64.092
where: short stacking energy: -51.040
Base-Backbone interact. energy: 1.909
local terms energy: -60.323083
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -7.643
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -10.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -104.116694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.116694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.116694 (E_RNA)
where:
Base-Base interactions energy: -42.508
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.142
local terms energy: -61.467308
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -89.015546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.015546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.015546 (E_RNA)
where:
Base-Base interactions energy: -39.503
where: short stacking energy: -30.283
Base-Backbone interact. energy: -0.272
local terms energy: -49.240675
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -9.338
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -82.705330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.705330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.705330 (E_RNA)
where:
Base-Base interactions energy: -31.696
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.092
local terms energy: -50.917374
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -3.962
flat angles P-C4'-P energy: -13.207
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: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -224.310490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.310490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310490 (E_RNA)
where:
Base-Base interactions energy: -137.876
where: short stacking energy: -73.651
Base-Backbone interact. energy: -0.240
local terms energy: -86.195026
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -219.306383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.306383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.306383 (E_RNA)
where:
Base-Base interactions energy: -140.904
where: short stacking energy: -79.179
Base-Backbone interact. energy: -0.048
local terms energy: -78.354436
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -23.418
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: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -224.849221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.849221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.849221 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.002
local terms energy: -83.674330
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -202.908976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.908976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.908976 (E_RNA)
where:
Base-Base interactions energy: -125.455
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.120
local terms energy: -77.333582
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -15.154
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: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -179.714368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.714368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.714368 (E_RNA)
where:
Base-Base interactions energy: -116.392
where: short stacking energy: -52.455
Base-Backbone interact. energy: -0.183
local terms energy: -63.139563
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -183.096501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.096501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.096501 (E_RNA)
where:
Base-Base interactions energy: -121.979
where: short stacking energy: -61.951
Base-Backbone interact. energy: -0.008
local terms energy: -61.109416
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -101.652461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.652461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.652461 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -40.136
Base-Backbone interact. energy: -0.117
local terms energy: -61.399522
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -91.720794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.720794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.720794 (E_RNA)
where:
Base-Base interactions energy: -32.828
where: short stacking energy: -25.723
Base-Backbone interact. energy: 0.810
local terms energy: -59.703064
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -85.180677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.180677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.180677 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -23.037
Base-Backbone interact. energy: -0.278
local terms energy: -46.567938
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -84.882657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.882657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.882657 (E_RNA)
where:
Base-Base interactions energy: -29.407
where: short stacking energy: -20.170
Base-Backbone interact. energy: -0.164
local terms energy: -55.311011
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -223.321701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321701 (E_RNA)
where:
Base-Base interactions energy: -145.889
where: short stacking energy: -77.810
Base-Backbone interact. energy: -0.042
local terms energy: -77.390801
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -221.082082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.082082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.082082 (E_RNA)
where:
Base-Base interactions energy: -138.884
where: short stacking energy: -79.264
Base-Backbone interact. energy: -0.044
local terms energy: -82.154717
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -12.423
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: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -222.031845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.031845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.031845 (E_RNA)
where:
Base-Base interactions energy: -141.266
where: short stacking energy: -73.160
Base-Backbone interact. energy: -0.170
local terms energy: -80.595764
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -11.990
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: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -211.337989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.337989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.337989 (E_RNA)
where:
Base-Base interactions energy: -136.419
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.285
local terms energy: -74.633932
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -197.277862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.277862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.277862 (E_RNA)
where:
Base-Base interactions energy: -121.829
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.023
local terms energy: -75.426120
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -191.204501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.204501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204501 (E_RNA)
where:
Base-Base interactions energy: -126.859
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.451
local terms energy: -63.894464
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -101.298956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.298956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.298956 (E_RNA)
where:
Base-Base interactions energy: -39.228
where: short stacking energy: -38.396
Base-Backbone interact. energy: -0.335
local terms energy: -61.735659
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -113.365722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.365722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.365722 (E_RNA)
where:
Base-Base interactions energy: -45.090
where: short stacking energy: -45.090
Base-Backbone interact. energy: -0.238
local terms energy: -68.037239
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -8.126
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: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -80.517836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.517836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.517836 (E_RNA)
where:
Base-Base interactions energy: -27.682
where: short stacking energy: -24.300
Base-Backbone interact. energy: -1.709
local terms energy: -51.126715
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -94.900730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.900730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.900730 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -39.342
Base-Backbone interact. energy: -0.180
local terms energy: -55.096609
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -230.198612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.198612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.198612 (E_RNA)
where:
Base-Base interactions energy: -150.604
where: short stacking energy: -78.128
Base-Backbone interact. energy: -0.078
local terms energy: -79.516538
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -223.285508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.285508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.285508 (E_RNA)
where:
Base-Base interactions energy: -140.823
where: short stacking energy: -75.188
Base-Backbone interact. energy: -0.100
local terms energy: -82.362464
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -221.086030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.086030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.086030 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -75.671
Base-Backbone interact. energy: -0.049
local terms energy: -76.903580
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -18.160
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -208.709365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.709365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.709365 (E_RNA)
where:
Base-Base interactions energy: -128.701
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.001
local terms energy: -80.007108
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -204.122559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.122559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.122559 (E_RNA)
where:
Base-Base interactions energy: -131.226
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.001
local terms energy: -72.895811
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -23.268
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: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -191.817131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.817131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.817131 (E_RNA)
where:
Base-Base interactions energy: -117.682
where: short stacking energy: -64.979
Base-Backbone interact. energy: -0.094
local terms energy: -74.041957
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -99.877574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.877574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.877574 (E_RNA)
where:
Base-Base interactions energy: -39.654
where: short stacking energy: -36.501
Base-Backbone interact. energy: -0.092
local terms energy: -60.131507
where:
bonds (distance) C4'-P energy: -10.193
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -92.539436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.539436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.539436 (E_RNA)
where:
Base-Base interactions energy: -32.251
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.196
local terms energy: -60.092937
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -85.767958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.767958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.767958 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -28.323
Base-Backbone interact. energy: -0.097
local terms energy: -57.347503
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -83.410523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.410523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.410523 (E_RNA)
where:
Base-Base interactions energy: -25.278
where: short stacking energy: -25.278
Base-Backbone interact. energy: 0.094
local terms energy: -58.225799
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -229.255026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.255026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.255026 (E_RNA)
where:
Base-Base interactions energy: -143.377
where: short stacking energy: -81.767
Base-Backbone interact. energy: -0.011
local terms energy: -85.868014
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -24.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -233.168600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.168600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.168600 (E_RNA)
where:
Base-Base interactions energy: -148.557
where: short stacking energy: -84.160
Base-Backbone interact. energy: -0.006
local terms energy: -84.605468
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -24.334
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: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -218.583656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.583656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.583656 (E_RNA)
where:
Base-Base interactions energy: -137.834
where: short stacking energy: -74.129
Base-Backbone interact. energy: -0.589
local terms energy: -80.160743
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -215.029052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.029052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.029052 (E_RNA)
where:
Base-Base interactions energy: -142.846
where: short stacking energy: -78.971
Base-Backbone interact. energy: -0.575
local terms energy: -71.607342
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -8.652
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: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -178.179748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.179748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.179748 (E_RNA)
where:
Base-Base interactions energy: -113.784
where: short stacking energy: -56.151
Base-Backbone interact. energy: -0.251
local terms energy: -64.144622
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -178.729602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.729602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.729602 (E_RNA)
where:
Base-Base interactions energy: -120.575
where: short stacking energy: -59.007
Base-Backbone interact. energy: -0.225
local terms energy: -57.929087
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -7.642
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -98.851392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.851392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.851392 (E_RNA)
where:
Base-Base interactions energy: -39.352
where: short stacking energy: -39.352
Base-Backbone interact. energy: 0.200
local terms energy: -59.698692
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -11.787
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: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -93.001862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.001862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.001862 (E_RNA)
where:
Base-Base interactions energy: -36.150
where: short stacking energy: -31.563
Base-Backbone interact. energy: 1.407
local terms energy: -58.258695
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -77.562163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.562163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.562163 (E_RNA)
where:
Base-Base interactions energy: -18.533
where: short stacking energy: -17.705
Base-Backbone interact. energy: -0.180
local terms energy: -58.849672
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -73.712135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.712135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.712135 (E_RNA)
where:
Base-Base interactions energy: -28.231
where: short stacking energy: -28.231
Base-Backbone interact. energy: 1.356
local terms energy: -46.836695
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -8.860
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -226.736465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.736465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.736465 (E_RNA)
where:
Base-Base interactions energy: -147.688
where: short stacking energy: -80.758
Base-Backbone interact. energy: -0.023
local terms energy: -79.025507
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -229.645717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.645717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.645717 (E_RNA)
where:
Base-Base interactions energy: -144.916
where: short stacking energy: -76.762
Base-Backbone interact. energy: -0.021
local terms energy: -84.708157
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -12.806
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: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -214.426422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.426422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.426422 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -77.829
Base-Backbone interact. energy: -0.024
local terms energy: -77.594349
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -22.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -205.585818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.585818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.585818 (E_RNA)
where:
Base-Base interactions energy: -129.361
where: short stacking energy: -71.555
Base-Backbone interact. energy: -0.032
local terms energy: -76.192719
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -179.464218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.464218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.464218 (E_RNA)
where:
Base-Base interactions energy: -110.591
where: short stacking energy: -49.561
Base-Backbone interact. energy: -0.290
local terms energy: -68.583700
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -181.374151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.374151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.374151 (E_RNA)
where:
Base-Base interactions energy: -107.310
where: short stacking energy: -57.090
Base-Backbone interact. energy: -0.302
local terms energy: -73.761671
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -11.281
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: 7, replica: 7
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -100.773290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.773290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.773290 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -39.755
Base-Backbone interact. energy: 2.328
local terms energy: -61.922520
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -91.752175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.752175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.752175 (E_RNA)
where:
Base-Base interactions energy: -30.271
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.172
local terms energy: -61.309581
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -4.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -93.667377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.667377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.667377 (E_RNA)
where:
Base-Base interactions energy: -48.471
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.160
local terms energy: -45.036270
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -6.926
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -81.435584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.435584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.435584 (E_RNA)
where:
Base-Base interactions energy: -34.661
where: short stacking energy: -34.661
Base-Backbone interact. energy: -0.086
local terms energy: -46.688839
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -229.023067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.023067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.023067 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -82.310
Base-Backbone interact. energy: -0.001
local terms energy: -80.961358
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -21.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -205.977155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.977155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.977155 (E_RNA)
where:
Base-Base interactions energy: -130.630
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.020
local terms energy: -75.326555
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -224.110042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.110042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.110042 (E_RNA)
where:
Base-Base interactions energy: -147.164
where: short stacking energy: -86.144
Base-Backbone interact. energy: -0.008
local terms energy: -76.937603
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -23.162
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: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -194.992620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.992620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.992620 (E_RNA)
where:
Base-Base interactions energy: -128.141
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.121
local terms energy: -66.730750
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -197.142473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.142473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.142473 (E_RNA)
where:
Base-Base interactions energy: -117.605
where: short stacking energy: -57.143
Base-Backbone interact. energy: -0.248
local terms energy: -79.289773
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -182.854258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.854258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.854258 (E_RNA)
where:
Base-Base interactions energy: -114.735
where: short stacking energy: -62.985
Base-Backbone interact. energy: -0.080
local terms energy: -68.039227
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -98.601779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.601779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.601779 (E_RNA)
where:
Base-Base interactions energy: -39.338
where: short stacking energy: -39.338
Base-Backbone interact. energy: -0.098
local terms energy: -59.164968
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.157
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: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -82.156865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.156865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.156865 (E_RNA)
where:
Base-Base interactions energy: -34.750
where: short stacking energy: -34.750
Base-Backbone interact. energy: -0.005
local terms energy: -47.401530
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: 1.972
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -85.295710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.295710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.295710 (E_RNA)
where:
Base-Base interactions energy: -40.765
where: short stacking energy: -26.292
Base-Backbone interact. energy: -0.104
local terms energy: -44.426401
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: -0.319
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: 455
Temperature: 1.350000
Total energy: -76.671791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.671791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.671791 (E_RNA)
where:
Base-Base interactions energy: -27.718
where: short stacking energy: -24.690
Base-Backbone interact. energy: -0.067
local terms energy: -48.886602
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -9.492
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -229.040118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.040118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.040118 (E_RNA)
where:
Base-Base interactions energy: -145.411
where: short stacking energy: -77.601
Base-Backbone interact. energy: -0.016
local terms energy: -83.613418
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -21.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -225.946451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.946451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.946451 (E_RNA)
where:
Base-Base interactions energy: -146.718
where: short stacking energy: -79.183
Base-Backbone interact. energy: -0.037
local terms energy: -79.190992
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -23.544
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: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -213.981273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.981273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.981273 (E_RNA)
where:
Base-Base interactions energy: -139.283
where: short stacking energy: -78.553
Base-Backbone interact. energy: -0.045
local terms energy: -74.652924
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -208.063546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063546 (E_RNA)
where:
Base-Base interactions energy: -133.176
where: short stacking energy: -70.801
Base-Backbone interact. energy: -0.603
local terms energy: -74.284950
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -186.329215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.329215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.329215 (E_RNA)
where:
Base-Base interactions energy: -120.846
where: short stacking energy: -67.257
Base-Backbone interact. energy: 0.228
local terms energy: -65.711715
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -186.144117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.144117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.144117 (E_RNA)
where:
Base-Base interactions energy: -119.656
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.010
local terms energy: -66.478842
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -11.459
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: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -93.512171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.512171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.512171 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -30.305
Base-Backbone interact. energy: -0.099
local terms energy: -58.898023
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -9.234
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -10.295
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: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -88.226852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.226852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.226852 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -32.167
Base-Backbone interact. energy: -0.023
local terms energy: -56.036858
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -90.689523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689523 (E_RNA)
where:
Base-Base interactions energy: -40.066
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.165
local terms energy: -50.458924
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -83.202764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.202764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.202764 (E_RNA)
where:
Base-Base interactions energy: -36.782
where: short stacking energy: -33.433
Base-Backbone interact. energy: -0.120
local terms energy: -46.300604
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -228.924912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.924912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.924912 (E_RNA)
where:
Base-Base interactions energy: -145.733
where: short stacking energy: -85.996
Base-Backbone interact. energy: 0.017
local terms energy: -83.209518
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -217.543154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.543154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.543154 (E_RNA)
where:
Base-Base interactions energy: -138.185
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.042
local terms energy: -79.316190
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -214.337775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.337775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.337775 (E_RNA)
where:
Base-Base interactions energy: -135.255
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.001
local terms energy: -79.081720
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -20.056
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: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -214.516119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.516119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.516119 (E_RNA)
where:
Base-Base interactions energy: -133.480
where: short stacking energy: -73.342
Base-Backbone interact. energy: -0.010
local terms energy: -81.026080
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -198.857245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.857245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.857245 (E_RNA)
where:
Base-Base interactions energy: -127.389
where: short stacking energy: -69.389
Base-Backbone interact. energy: -0.047
local terms energy: -71.421682
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -183.645069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.645069 (E_RNA)
where:
Base-Base interactions energy: -113.515
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.394
local terms energy: -69.735753
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -95.657931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657931 (E_RNA)
where:
Base-Base interactions energy: -36.364
where: short stacking energy: -36.364
Base-Backbone interact. energy: -0.159
local terms energy: -59.135479
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -10.026
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: 457
Temperature: 1.250000
Total energy: -95.269004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.269004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.269004 (E_RNA)
where:
Base-Base interactions energy: -38.569
where: short stacking energy: -37.354
Base-Backbone interact. energy: -0.151
local terms energy: -56.548745
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -6.892
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: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -80.298092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.298092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.298092 (E_RNA)
where:
Base-Base interactions energy: -32.838
where: short stacking energy: -18.252
Base-Backbone interact. energy: -0.084
local terms energy: -47.376376
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: 1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -95.788191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.788191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.788191 (E_RNA)
where:
Base-Base interactions energy: -41.382
where: short stacking energy: -28.548
Base-Backbone interact. energy: -0.184
local terms energy: -54.222162
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -8.610
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: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -232.972586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.972586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.972586 (E_RNA)
where:
Base-Base interactions energy: -144.201
where: short stacking energy: -80.469
Base-Backbone interact. energy: -0.010
local terms energy: -88.762260
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -208.826343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.826343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.826343 (E_RNA)
where:
Base-Base interactions energy: -131.877
where: short stacking energy: -69.090
Base-Backbone interact. energy: 0.136
local terms energy: -77.084664
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -213.515031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.515031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.515031 (E_RNA)
where:
Base-Base interactions energy: -129.798
where: short stacking energy: -69.655
Base-Backbone interact. energy: -0.217
local terms energy: -83.500692
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -13.119
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: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -217.320661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.320661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.320661 (E_RNA)
where:
Base-Base interactions energy: -135.258
where: short stacking energy: -71.423
Base-Backbone interact. energy: -0.068
local terms energy: -81.994366
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -195.893914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.893914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.893914 (E_RNA)
where:
Base-Base interactions energy: -126.092
where: short stacking energy: -65.322
Base-Backbone interact. energy: -0.017
local terms energy: -69.785309
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -8.951
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: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -195.751705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.751705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.751705 (E_RNA)
where:
Base-Base interactions energy: -123.356
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.155
local terms energy: -72.241028
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -82.399730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.399730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.399730 (E_RNA)
where:
Base-Base interactions energy: -31.805
where: short stacking energy: -11.231
Base-Backbone interact. energy: -0.194
local terms energy: -50.400519
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -94.281764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.281764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.281764 (E_RNA)
where:
Base-Base interactions energy: -42.064
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.580
local terms energy: -51.638421
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -87.271764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.271764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.271764 (E_RNA)
where:
Base-Base interactions energy: -28.567
where: short stacking energy: -28.567
Base-Backbone interact. energy: -0.086
local terms energy: -58.618078
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -81.568454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.568454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.568454 (E_RNA)
where:
Base-Base interactions energy: -27.645
where: short stacking energy: -27.645
Base-Backbone interact. energy: 0.795
local terms energy: -54.719310
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -6.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -230.051282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.051282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.051282 (E_RNA)
where:
Base-Base interactions energy: -147.440
where: short stacking energy: -81.091
Base-Backbone interact. energy: -0.001
local terms energy: -82.609789
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -24.923
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: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -224.663319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.663319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.663319 (E_RNA)
where:
Base-Base interactions energy: -139.613
where: short stacking energy: -69.919
Base-Backbone interact. energy: 0.054
local terms energy: -85.103813
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -188.765880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.765880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.765880 (E_RNA)
where:
Base-Base interactions energy: -115.495
where: short stacking energy: -57.824
Base-Backbone interact. energy: 0.083
local terms energy: -73.353560
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -204.389337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.389337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.389337 (E_RNA)
where:
Base-Base interactions energy: -128.546
where: short stacking energy: -64.349
Base-Backbone interact. energy: 1.609
local terms energy: -77.451615
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -196.575373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.575373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.575373 (E_RNA)
where:
Base-Base interactions energy: -121.615
where: short stacking energy: -57.757
Base-Backbone interact. energy: -0.113
local terms energy: -74.847541
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -181.621162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.621162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.621162 (E_RNA)
where:
Base-Base interactions energy: -109.870
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.004
local terms energy: -71.747067
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -22.151
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: 7
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -100.151698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.151698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.151698 (E_RNA)
where:
Base-Base interactions energy: -38.775
where: short stacking energy: -31.618
Base-Backbone interact. energy: 1.765
local terms energy: -63.142204
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -14.336
tors. eta vs tors. theta energy: -4.857
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: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -95.673676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.673676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.673676 (E_RNA)
where:
Base-Base interactions energy: -36.939
where: short stacking energy: -31.478
Base-Backbone interact. energy: -0.153
local terms energy: -58.581724
where:
bonds (distance) C4'-P energy: -7.868
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -9.129
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: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -86.418643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418643 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.252
local terms energy: -53.308051
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -82.035824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.035824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.035824 (E_RNA)
where:
Base-Base interactions energy: -32.092
where: short stacking energy: -31.167
Base-Backbone interact. energy: 1.879
local terms energy: -51.823434
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -219.300349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.300349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.300349 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -74.959
Base-Backbone interact. energy: -0.655
local terms energy: -81.639125
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -227.941860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.941860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.941860 (E_RNA)
where:
Base-Base interactions energy: -142.405
where: short stacking energy: -80.462
Base-Backbone interact. energy: -0.003
local terms energy: -85.533923
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -219.466733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.466733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.466733 (E_RNA)
where:
Base-Base interactions energy: -136.248
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.031
local terms energy: -83.187185
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -25.557
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: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -197.313229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.313229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.313229 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -71.681
Base-Backbone interact. energy: -0.234
local terms energy: -63.004606
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -207.242035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.242035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.242035 (E_RNA)
where:
Base-Base interactions energy: -125.741
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.047
local terms energy: -81.454133
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -21.402
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: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -202.317521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.317521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.317521 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -67.827
Base-Backbone interact. energy: -0.002
local terms energy: -72.814556
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -9.420
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: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -102.018104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018104 (E_RNA)
where:
Base-Base interactions energy: -43.568
where: short stacking energy: -34.906
Base-Backbone interact. energy: 0.115
local terms energy: -58.565764
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -102.971506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.971506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.971506 (E_RNA)
where:
Base-Base interactions energy: -50.590
where: short stacking energy: -34.334
Base-Backbone interact. energy: 0.410
local terms energy: -52.791531
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -95.584474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.584474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.584474 (E_RNA)
where:
Base-Base interactions energy: -30.186
where: short stacking energy: -30.186
Base-Backbone interact. energy: -0.015
local terms energy: -65.383655
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -7.712
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: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -76.279718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.279718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.279718 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.798
local terms energy: -45.400246
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: 0.706
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: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -232.164164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.164164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.164164 (E_RNA)
where:
Base-Base interactions energy: -150.385
where: short stacking energy: -84.612
Base-Backbone interact. energy: -0.414
local terms energy: -81.365278
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -22.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -221.118704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.118704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.118704 (E_RNA)
where:
Base-Base interactions energy: -143.077
where: short stacking energy: -80.090
Base-Backbone interact. energy: -0.014
local terms energy: -78.028345
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -207.754395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.754395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.754395 (E_RNA)
where:
Base-Base interactions energy: -130.997
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.609
local terms energy: -76.147808
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -17.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -203.535495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.535495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.535495 (E_RNA)
where:
Base-Base interactions energy: -128.407
where: short stacking energy: -66.905
Base-Backbone interact. energy: -0.052
local terms energy: -75.075999
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -14.469
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: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -204.758653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.758653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.758653 (E_RNA)
where:
Base-Base interactions energy: -134.419
where: short stacking energy: -61.572
Base-Backbone interact. energy: -0.187
local terms energy: -70.152207
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -207.067547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.067547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.067547 (E_RNA)
where:
Base-Base interactions energy: -135.735
where: short stacking energy: -68.640
Base-Backbone interact. energy: 0.953
local terms energy: -72.286332
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -101.578538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.578538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.578538 (E_RNA)
where:
Base-Base interactions energy: -39.835
where: short stacking energy: -39.835
Base-Backbone interact. energy: -0.058
local terms energy: -61.684833
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -8.292
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: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -102.226247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226247 (E_RNA)
where:
Base-Base interactions energy: -45.477
where: short stacking energy: -37.220
Base-Backbone interact. energy: 0.770
local terms energy: -57.518898
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -101.866674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.866674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.866674 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -25.396
Base-Backbone interact. energy: -0.278
local terms energy: -53.945378
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -83.083678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.083678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.083678 (E_RNA)
where:
Base-Base interactions energy: -31.066
where: short stacking energy: -31.066
Base-Backbone interact. energy: -0.044
local terms energy: -51.973723
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -8.111
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -235.314221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.314221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.314221 (E_RNA)
where:
Base-Base interactions energy: -145.883
where: short stacking energy: -83.210
Base-Backbone interact. energy: -0.010
local terms energy: -89.421468
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -23.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -227.299692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.299692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.299692 (E_RNA)
where:
Base-Base interactions energy: -151.962
where: short stacking energy: -79.195
Base-Backbone interact. energy: -0.001
local terms energy: -75.337173
where:
bonds (distance) C4'-P energy: -8.691
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -190.976993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.976993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.976993 (E_RNA)
where:
Base-Base interactions energy: -129.172
where: short stacking energy: -64.595
Base-Backbone interact. energy: -0.026
local terms energy: -61.779373
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -202.142180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.142180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.142180 (E_RNA)
where:
Base-Base interactions energy: -130.907
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.001
local terms energy: -71.234659
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -8.606
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: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -206.878041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.878041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.878041 (E_RNA)
where:
Base-Base interactions energy: -134.893
where: short stacking energy: -64.168
Base-Backbone interact. energy: -0.191
local terms energy: -71.794998
where:
bonds (distance) C4'-P energy: -7.585
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -209.966652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.966652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.966652 (E_RNA)
where:
Base-Base interactions energy: -130.363
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.010
local terms energy: -79.592939
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.690
flat angles P-C4'-P energy: -9.385
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: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -107.395636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.395636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.395636 (E_RNA)
where:
Base-Base interactions energy: -48.761
where: short stacking energy: -46.729
Base-Backbone interact. energy: -0.010
local terms energy: -58.624344
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -13.095
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -90.401306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.401306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.401306 (E_RNA)
where:
Base-Base interactions energy: -42.135
where: short stacking energy: -33.525
Base-Backbone interact. energy: 0.963
local terms energy: -49.229532
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -81.035912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.035912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.035912 (E_RNA)
where:
Base-Base interactions energy: -35.792
where: short stacking energy: -35.792
Base-Backbone interact. energy: -0.163
local terms energy: -45.081516
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -4.278
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: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -86.992958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.992958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.992958 (E_RNA)
where:
Base-Base interactions energy: -35.133
where: short stacking energy: -33.313
Base-Backbone interact. energy: -0.216
local terms energy: -51.643991
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -233.800284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.800284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.800284 (E_RNA)
where:
Base-Base interactions energy: -149.943
where: short stacking energy: -81.435
Base-Backbone interact. energy: -0.014
local terms energy: -83.843332
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -10.594
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: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -206.729028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.729028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.729028 (E_RNA)
where:
Base-Base interactions energy: -130.720
where: short stacking energy: -77.758
Base-Backbone interact. energy: -0.004
local terms energy: -76.004969
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -219.197375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.197375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.197375 (E_RNA)
where:
Base-Base interactions energy: -137.147
where: short stacking energy: -69.466
Base-Backbone interact. energy: -0.001
local terms energy: -82.049400
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -21.902
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: 463
Temperature: 1.050000
Total energy: -202.546886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.546886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.546886 (E_RNA)
where:
Base-Base interactions energy: -132.181
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.002
local terms energy: -70.363534
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -8.719
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -11.952
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: 5, replica: 10
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -179.054491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.054491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.054491 (E_RNA)
where:
Base-Base interactions energy: -112.174
where: short stacking energy: -52.495
Base-Backbone interact. energy: -0.180
local terms energy: -66.700369
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -201.252238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.252238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.252238 (E_RNA)
where:
Base-Base interactions energy: -127.974
where: short stacking energy: -69.923
Base-Backbone interact. energy: -0.009
local terms energy: -73.268779
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -20.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -100.108820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.108820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.108820 (E_RNA)
where:
Base-Base interactions energy: -42.031
where: short stacking energy: -42.031
Base-Backbone interact. energy: -0.101
local terms energy: -57.976693
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -7.254
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: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -96.683174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.683174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.683174 (E_RNA)
where:
Base-Base interactions energy: -35.084
where: short stacking energy: -35.084
Base-Backbone interact. energy: -0.170
local terms energy: -61.429461
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -83.649235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.649235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.649235 (E_RNA)
where:
Base-Base interactions energy: -34.084
where: short stacking energy: -34.084
Base-Backbone interact. energy: -0.222
local terms energy: -49.343075
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -90.920469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.920469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.920469 (E_RNA)
where:
Base-Base interactions energy: -35.553
where: short stacking energy: -34.439
Base-Backbone interact. energy: -0.150
local terms energy: -55.217520
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -5.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -229.430446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.430446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.430446 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -73.281
Base-Backbone interact. energy: -0.092
local terms energy: -88.923934
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -205.865932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.865932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.865932 (E_RNA)
where:
Base-Base interactions energy: -134.700
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.078
local terms energy: -71.088670
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -213.566394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.566394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.566394 (E_RNA)
where:
Base-Base interactions energy: -138.174
where: short stacking energy: -80.514
Base-Backbone interact. energy: -0.018
local terms energy: -75.374261
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -12.715
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: 4, replica: 9
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -171.603530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.603530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.603530 (E_RNA)
where:
Base-Base interactions energy: -103.800
where: short stacking energy: -50.149
Base-Backbone interact. energy: -0.081
local terms energy: -67.721941
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -203.585303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.585303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.585303 (E_RNA)
where:
Base-Base interactions energy: -128.885
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.412
local terms energy: -74.288538
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -197.804744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.804744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.804744 (E_RNA)
where:
Base-Base interactions energy: -124.584
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.003
local terms energy: -73.217887
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -12.628
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: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -91.751237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.751237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.751237 (E_RNA)
where:
Base-Base interactions energy: -32.838
where: short stacking energy: -32.838
Base-Backbone interact. energy: -0.100
local terms energy: -58.813874
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -91.861657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.861657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.861657 (E_RNA)
where:
Base-Base interactions energy: -35.129
where: short stacking energy: -35.098
Base-Backbone interact. energy: -0.308
local terms energy: -56.424141
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -5.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -95.240471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.240471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.240471 (E_RNA)
where:
Base-Base interactions energy: -34.883
where: short stacking energy: -34.883
Base-Backbone interact. energy: -0.025
local terms energy: -60.332213
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -91.840786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.840786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.840786 (E_RNA)
where:
Base-Base interactions energy: -35.254
where: short stacking energy: -31.685
Base-Backbone interact. energy: -0.173
local terms energy: -56.414357
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -229.920904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.920904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.920904 (E_RNA)
where:
Base-Base interactions energy: -143.949
where: short stacking energy: -78.136
Base-Backbone interact. energy: -0.013
local terms energy: -85.958324
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -222.419226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.419226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.419226 (E_RNA)
where:
Base-Base interactions energy: -137.616
where: short stacking energy: -76.903
Base-Backbone interact. energy: -0.044
local terms energy: -84.759212
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -212.319458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.319458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.319458 (E_RNA)
where:
Base-Base interactions energy: -134.821
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.072
local terms energy: -77.426029
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -207.083202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.083202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.083202 (E_RNA)
where:
Base-Base interactions energy: -137.580
where: short stacking energy: -75.421
Base-Backbone interact. energy: -0.045
local terms energy: -69.458487
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -21.268
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: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -199.867242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.867242 (E_RNA)
where:
Base-Base interactions energy: -130.105
where: short stacking energy: -74.664
Base-Backbone interact. energy: -0.091
local terms energy: -69.671208
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -180.335309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.335309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.335309 (E_RNA)
where:
Base-Base interactions energy: -109.069
where: short stacking energy: -51.083
Base-Backbone interact. energy: -0.007
local terms energy: -71.258930
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -12.449
flat angles P-C4'-P energy: -4.536
tors. eta vs tors. theta energy: -20.957
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: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -102.769882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.769882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.769882 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -37.227
Base-Backbone interact. energy: -0.244
local terms energy: -65.298122
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -9.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -98.415230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.415230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.415230 (E_RNA)
where:
Base-Base interactions energy: -48.811
where: short stacking energy: -20.418
Base-Backbone interact. energy: -0.249
local terms energy: -49.354891
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -82.037454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.037454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.037454 (E_RNA)
where:
Base-Base interactions energy: -29.673
where: short stacking energy: -29.673
Base-Backbone interact. energy: -0.261
local terms energy: -52.103465
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -1.664
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: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -72.229002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.229002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.229002 (E_RNA)
where:
Base-Base interactions energy: -26.436
where: short stacking energy: -26.436
Base-Backbone interact. energy: 1.001
local terms energy: -46.793740
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -232.059002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.059002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.059002 (E_RNA)
where:
Base-Base interactions energy: -147.177
where: short stacking energy: -77.359
Base-Backbone interact. energy: -0.076
local terms energy: -84.805901
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -231.669711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.669711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.669711 (E_RNA)
where:
Base-Base interactions energy: -148.364
where: short stacking energy: -81.823
Base-Backbone interact. energy: -0.592
local terms energy: -82.714300
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -215.734459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.734459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.734459 (E_RNA)
where:
Base-Base interactions energy: -134.469
where: short stacking energy: -72.564
Base-Backbone interact. energy: -0.043
local terms energy: -81.222428
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -10.733
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: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -217.175754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.175754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.175754 (E_RNA)
where:
Base-Base interactions energy: -135.614
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.053
local terms energy: -81.508826
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -11.960
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: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -218.169875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.169875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.169875 (E_RNA)
where:
Base-Base interactions energy: -138.846
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.007
local terms energy: -79.317168
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -193.079639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.079639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.079639 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -64.945
Base-Backbone interact. energy: -0.092
local terms energy: -72.470758
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -19.850
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: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -104.804059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.804059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.804059 (E_RNA)
where:
Base-Base interactions energy: -48.554
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.163
local terms energy: -56.086802
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -7.809
tors. eta vs tors. theta energy: 1.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -96.889719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.889719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.889719 (E_RNA)
where:
Base-Base interactions energy: -42.975
where: short stacking energy: -27.051
Base-Backbone interact. energy: 0.441
local terms energy: -54.356223
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -86.237436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.237436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.237436 (E_RNA)
where:
Base-Base interactions energy: -26.806
where: short stacking energy: -26.806
Base-Backbone interact. energy: -0.169
local terms energy: -59.262716
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -86.348061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.348061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.348061 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -32.983
Base-Backbone interact. energy: -0.150
local terms energy: -53.214971
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -238.187363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.187363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.187363 (E_RNA)
where:
Base-Base interactions energy: -157.005
where: short stacking energy: -85.742
Base-Backbone interact. energy: -0.010
local terms energy: -81.172149
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -234.815272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.815272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.815272 (E_RNA)
where:
Base-Base interactions energy: -153.260
where: short stacking energy: -83.560
Base-Backbone interact. energy: -0.175
local terms energy: -81.380516
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -24.266
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: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -218.026425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.026425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.026425 (E_RNA)
where:
Base-Base interactions energy: -141.356
where: short stacking energy: -73.446
Base-Backbone interact. energy: -0.090
local terms energy: -76.579942
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -205.082307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.082307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.082307 (E_RNA)
where:
Base-Base interactions energy: -133.009
where: short stacking energy: -69.834
Base-Backbone interact. energy: 0.521
local terms energy: -72.594733
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -203.242826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.242826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.242826 (E_RNA)
where:
Base-Base interactions energy: -128.842
where: short stacking energy: -65.213
Base-Backbone interact. energy: -0.313
local terms energy: -74.087977
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -10.056
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: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -204.426739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.426739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.426739 (E_RNA)
where:
Base-Base interactions energy: -133.027
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.009
local terms energy: -71.391110
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -124.072452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.072452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.072452 (E_RNA)
where:
Base-Base interactions energy: -64.325
where: short stacking energy: -38.669
Base-Backbone interact. energy: -0.119
local terms energy: -59.628915
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -3.943
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: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -107.916608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.916608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.916608 (E_RNA)
where:
Base-Base interactions energy: -53.453
where: short stacking energy: -18.803
Base-Backbone interact. energy: 0.479
local terms energy: -54.943123
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -87.738762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.738762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.738762 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -29.832
Base-Backbone interact. energy: -0.021
local terms energy: -57.886030
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -1.695
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: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -76.079433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.079433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.079433 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -26.228
Base-Backbone interact. energy: -0.306
local terms energy: -48.221743
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: 1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -221.389522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.389522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.389522 (E_RNA)
where:
Base-Base interactions energy: -140.216
where: short stacking energy: -73.554
Base-Backbone interact. energy: -0.119
local terms energy: -81.055386
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -227.782558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.782558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.782558 (E_RNA)
where:
Base-Base interactions energy: -143.603
where: short stacking energy: -80.053
Base-Backbone interact. energy: -0.286
local terms energy: -83.893308
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -211.559557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.559557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.559557 (E_RNA)
where:
Base-Base interactions energy: -135.807
where: short stacking energy: -68.763
Base-Backbone interact. energy: -0.007
local terms energy: -75.745816
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -210.128671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.128671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.128671 (E_RNA)
where:
Base-Base interactions energy: -130.336
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.737
local terms energy: -79.055461
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -18.825
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: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -209.331008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.331008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.331008 (E_RNA)
where:
Base-Base interactions energy: -135.255
where: short stacking energy: -77.652
Base-Backbone interact. energy: -0.724
local terms energy: -73.351716
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -12.677
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: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -185.483046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.483046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.483046 (E_RNA)
where:
Base-Base interactions energy: -118.578
where: short stacking energy: -65.297
Base-Backbone interact. energy: -0.059
local terms energy: -66.846925
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -99.789677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.789677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.789677 (E_RNA)
where:
Base-Base interactions energy: -42.808
where: short stacking energy: -42.808
Base-Backbone interact. energy: -0.040
local terms energy: -56.942441
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -103.603447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.603447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.603447 (E_RNA)
where:
Base-Base interactions energy: -42.044
where: short stacking energy: -32.764
Base-Backbone interact. energy: -0.196
local terms energy: -61.363609
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -88.971833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.971833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.971833 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -37.963
Base-Backbone interact. energy: 0.568
local terms energy: -51.576264
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -82.906287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.906287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.906287 (E_RNA)
where:
Base-Base interactions energy: -30.004
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.164
local terms energy: -52.738273
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -5.807
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: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -225.788649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.788649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.788649 (E_RNA)
where:
Base-Base interactions energy: -139.097
where: short stacking energy: -75.447
Base-Backbone interact. energy: -0.032
local terms energy: -86.659172
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -222.732089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.732089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.732089 (E_RNA)
where:
Base-Base interactions energy: -140.099
where: short stacking energy: -76.354
Base-Backbone interact. energy: -0.195
local terms energy: -82.437678
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -13.378
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: 469
Temperature: 1.000000
Total energy: -208.188286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.188286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.188286 (E_RNA)
where:
Base-Base interactions energy: -130.456
where: short stacking energy: -68.332
Base-Backbone interact. energy: -0.013
local terms energy: -77.719168
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -12.300
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: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -207.469008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.469008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.469008 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.090
local terms energy: -72.670891
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.406
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: 5, replica: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -196.107472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.107472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.107472 (E_RNA)
where:
Base-Base interactions energy: -126.151
where: short stacking energy: -70.355
Base-Backbone interact. energy: -0.061
local terms energy: -69.895409
where:
bonds (distance) C4'-P energy: -6.669
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -161.866001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.866001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.866001 (E_RNA)
where:
Base-Base interactions energy: -101.470
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.329
local terms energy: -60.066908
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -98.684128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.684128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.684128 (E_RNA)
where:
Base-Base interactions energy: -37.453
where: short stacking energy: -37.453
Base-Backbone interact. energy: 0.373
local terms energy: -61.604699
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -102.905614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.905614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.905614 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -40.430
Base-Backbone interact. energy: 0.609
local terms energy: -63.084743
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -8.831
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: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -80.003811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.003811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.003811 (E_RNA)
where:
Base-Base interactions energy: -36.823
where: short stacking energy: -33.556
Base-Backbone interact. energy: -0.192
local terms energy: -42.988108
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -9.108
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -73.966262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.966262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.966262 (E_RNA)
where:
Base-Base interactions energy: -30.677
where: short stacking energy: -25.547
Base-Backbone interact. energy: -0.541
local terms energy: -42.748776
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -6.576
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -227.641692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.641692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.641692 (E_RNA)
where:
Base-Base interactions energy: -145.680
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.051
local terms energy: -81.910837
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -228.505259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.505259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.505259 (E_RNA)
where:
Base-Base interactions energy: -146.998
where: short stacking energy: -82.316
Base-Backbone interact. energy: -0.015
local terms energy: -81.492407
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -211.731743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.731743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.731743 (E_RNA)
where:
Base-Base interactions energy: -129.526
where: short stacking energy: -77.453
Base-Backbone interact. energy: -0.080
local terms energy: -82.126546
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -198.318080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.318080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.318080 (E_RNA)
where:
Base-Base interactions energy: -126.165
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.177
local terms energy: -71.975592
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -197.082221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.082221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.082221 (E_RNA)
where:
Base-Base interactions energy: -128.117
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.102
local terms energy: -68.862889
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -14.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -167.032826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.032826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.032826 (E_RNA)
where:
Base-Base interactions energy: -97.561
where: short stacking energy: -51.997
Base-Backbone interact. energy: -0.008
local terms energy: -69.463624
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -101.506707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.506707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.506707 (E_RNA)
where:
Base-Base interactions energy: -45.903
where: short stacking energy: -45.903
Base-Backbone interact. energy: -0.242
local terms energy: -55.361275
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -94.692593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.692593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.692593 (E_RNA)
where:
Base-Base interactions energy: -44.611
where: short stacking energy: -44.611
Base-Backbone interact. energy: -0.184
local terms energy: -49.898055
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -82.653516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.653516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.653516 (E_RNA)
where:
Base-Base interactions energy: -34.965
where: short stacking energy: -34.965
Base-Backbone interact. energy: -0.565
local terms energy: -47.122956
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -5.809
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: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -79.993855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.993855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.993855 (E_RNA)
where:
Base-Base interactions energy: -22.745
where: short stacking energy: -22.745
Base-Backbone interact. energy: -0.200
local terms energy: -57.049235
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -227.900172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.900172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.900172 (E_RNA)
where:
Base-Base interactions energy: -146.832
where: short stacking energy: -81.854
Base-Backbone interact. energy: -0.009
local terms energy: -81.058617
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -25.140
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: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -218.509799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.509799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.509799 (E_RNA)
where:
Base-Base interactions energy: -137.838
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.634
local terms energy: -80.037152
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -221.335312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.335312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.335312 (E_RNA)
where:
Base-Base interactions energy: -144.639
where: short stacking energy: -75.818
Base-Backbone interact. energy: -0.020
local terms energy: -76.676969
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -204.561183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.561183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.561183 (E_RNA)
where:
Base-Base interactions energy: -130.443
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.044
local terms energy: -74.073999
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.799
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: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -205.681816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.681816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.681816 (E_RNA)
where:
Base-Base interactions energy: -127.536
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.038
local terms energy: -78.108141
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -192.700775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.700775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.700775 (E_RNA)
where:
Base-Base interactions energy: -120.275
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.117
local terms energy: -72.308917
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -12.504
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: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -89.044317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.044317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.044317 (E_RNA)
where:
Base-Base interactions energy: -31.384
where: short stacking energy: -27.782
Base-Backbone interact. energy: -0.185
local terms energy: -57.475693
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -3.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -94.346579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.346579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.346579 (E_RNA)
where:
Base-Base interactions energy: -41.208
where: short stacking energy: -35.981
Base-Backbone interact. energy: -0.198
local terms energy: -52.940410
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -4.654
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: 471
Temperature: 1.300000
Total energy: -87.193244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.193244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.193244 (E_RNA)
where:
Base-Base interactions energy: -34.298
where: short stacking energy: -34.298
Base-Backbone interact. energy: -0.005
local terms energy: -52.889967
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -5.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -94.909913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.909913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.909913 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -34.943
Base-Backbone interact. energy: -0.120
local terms energy: -57.179636
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -9.776
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -5.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -236.541809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.541809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.541809 (E_RNA)
where:
Base-Base interactions energy: -148.678
where: short stacking energy: -82.986
Base-Backbone interact. energy: -0.045
local terms energy: -87.818242
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -222.679691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.679691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.679691 (E_RNA)
where:
Base-Base interactions energy: -140.021
where: short stacking energy: -78.679
Base-Backbone interact. energy: -0.067
local terms energy: -82.591459
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -13.179
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: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -217.916966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.916966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.916966 (E_RNA)
where:
Base-Base interactions energy: -140.120
where: short stacking energy: -70.175
Base-Backbone interact. energy: -0.105
local terms energy: -77.692265
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.165
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: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -206.456647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.456647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.456647 (E_RNA)
where:
Base-Base interactions energy: -125.301
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.015
local terms energy: -81.141189
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -11.242
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: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -210.252165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.252165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.252165 (E_RNA)
where:
Base-Base interactions energy: -131.284
where: short stacking energy: -70.057
Base-Backbone interact. energy: -0.016
local terms energy: -78.951997
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.886
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: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -188.753627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.753627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.753627 (E_RNA)
where:
Base-Base interactions energy: -119.752
where: short stacking energy: -64.932
Base-Backbone interact. energy: -0.011
local terms energy: -68.990514
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -107.479625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.479625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.479625 (E_RNA)
where:
Base-Base interactions energy: -45.445
where: short stacking energy: -31.032
Base-Backbone interact. energy: -0.165
local terms energy: -61.869713
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -89.629160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.629160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.629160 (E_RNA)
where:
Base-Base interactions energy: -39.236
where: short stacking energy: -30.681
Base-Backbone interact. energy: -0.007
local terms energy: -50.385909
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -92.663618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663618 (E_RNA)
where:
Base-Base interactions energy: -36.612
where: short stacking energy: -34.538
Base-Backbone interact. energy: -0.041
local terms energy: -56.011200
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -4.971
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: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -82.406802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.406802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.406802 (E_RNA)
where:
Base-Base interactions energy: -32.729
where: short stacking energy: -30.649
Base-Backbone interact. energy: -0.174
local terms energy: -49.503042
where:
bonds (distance) C4'-P energy: -8.202
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -237.082078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.082078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.082078 (E_RNA)
where:
Base-Base interactions energy: -151.691
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.001
local terms energy: -85.390027
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -13.031
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: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -220.992028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.992028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.992028 (E_RNA)
where:
Base-Base interactions energy: -144.279
where: short stacking energy: -77.533
Base-Backbone interact. energy: -0.020
local terms energy: -76.693193
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.060
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: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -221.158426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.158426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.158426 (E_RNA)
where:
Base-Base interactions energy: -140.950
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.018
local terms energy: -80.190758
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -24.481
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: 4, replica: 9
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -206.468698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.468698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.468698 (E_RNA)
where:
Base-Base interactions energy: -133.931
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.007
local terms energy: -72.530695
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -186.216662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.216662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.216662 (E_RNA)
where:
Base-Base interactions energy: -110.286
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.096
local terms energy: -75.834768
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -8.460
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: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -185.010654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.010654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.010654 (E_RNA)
where:
Base-Base interactions energy: -117.970
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.061
local terms energy: -66.980133
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -109.067094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.067094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.067094 (E_RNA)
where:
Base-Base interactions energy: -50.944
where: short stacking energy: -35.426
Base-Backbone interact. energy: -0.238
local terms energy: -57.885245
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -1.103
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: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -97.747923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.747923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.747923 (E_RNA)
where:
Base-Base interactions energy: -44.099
where: short stacking energy: -42.790
Base-Backbone interact. energy: -0.132
local terms energy: -53.516773
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -12.231
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: 8
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -85.310800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.310800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.310800 (E_RNA)
where:
Base-Base interactions energy: -28.820
where: short stacking energy: -23.218
Base-Backbone interact. energy: -0.516
local terms energy: -55.975263
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -85.815803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.815803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.815803 (E_RNA)
where:
Base-Base interactions energy: -35.226
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.085
local terms energy: -50.503891
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -7.641
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -3.506
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -222.951063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.951063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.951063 (E_RNA)
where:
Base-Base interactions energy: -143.995
where: short stacking energy: -74.968
Base-Backbone interact. energy: 0.712
local terms energy: -79.668146
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -221.567657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.567657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.567657 (E_RNA)
where:
Base-Base interactions energy: -144.642
where: short stacking energy: -74.977
Base-Backbone interact. energy: -0.085
local terms energy: -76.840687
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -13.020
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: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -227.482914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.482914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.482914 (E_RNA)
where:
Base-Base interactions energy: -141.515
where: short stacking energy: -78.680
Base-Backbone interact. energy: -0.030
local terms energy: -85.937204
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -24.691
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: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -192.056605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.056605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.056605 (E_RNA)
where:
Base-Base interactions energy: -122.916
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.099
local terms energy: -69.042074
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -203.860025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.860025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.860025 (E_RNA)
where:
Base-Base interactions energy: -127.104
where: short stacking energy: -62.713
Base-Backbone interact. energy: -0.004
local terms energy: -76.752205
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -11.494
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: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -188.213825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.213825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.213825 (E_RNA)
where:
Base-Base interactions energy: -116.023
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.002
local terms energy: -72.189300
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -120.280776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.280776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.280776 (E_RNA)
where:
Base-Base interactions energy: -50.929
where: short stacking energy: -32.858
Base-Backbone interact. energy: -0.072
local terms energy: -69.279704
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -99.466927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.466927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.466927 (E_RNA)
where:
Base-Base interactions energy: -41.481
where: short stacking energy: -27.634
Base-Backbone interact. energy: -0.894
local terms energy: -57.092054
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -79.557184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.557184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.557184 (E_RNA)
where:
Base-Base interactions energy: -24.409
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.165
local terms energy: -54.983131
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -10.324
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: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -87.904070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.904070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.904070 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -31.995
Base-Backbone interact. energy: 0.144
local terms energy: -53.228746
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -223.676771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.676771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.676771 (E_RNA)
where:
Base-Base interactions energy: -141.061
where: short stacking energy: -72.249
Base-Backbone interact. energy: -0.596
local terms energy: -82.020124
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -233.540014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.540014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.540014 (E_RNA)
where:
Base-Base interactions energy: -148.233
where: short stacking energy: -83.721
Base-Backbone interact. energy: -0.065
local terms energy: -85.241424
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -213.267336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.267336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.267336 (E_RNA)
where:
Base-Base interactions energy: -131.891
where: short stacking energy: -71.604
Base-Backbone interact. energy: -0.002
local terms energy: -81.373828
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -197.928367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.928367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.928367 (E_RNA)
where:
Base-Base interactions energy: -127.675
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.007
local terms energy: -70.245818
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -202.943534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.943534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.943534 (E_RNA)
where:
Base-Base interactions energy: -126.587
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.282
local terms energy: -76.074297
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -23.208
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: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -102.226829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.226829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.226829 (E_RNA)
where:
Base-Base interactions energy: -45.273
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.245
local terms energy: -56.709660
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -184.286924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.286924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.286924 (E_RNA)
where:
Base-Base interactions energy: -113.344
where: short stacking energy: -61.162
Base-Backbone interact. energy: 0.016
local terms energy: -70.958561
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -10.162
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: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -117.367129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.367129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.367129 (E_RNA)
where:
Base-Base interactions energy: -65.464
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.416
local terms energy: -51.487382
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -8.290
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -89.159269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.159269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.159269 (E_RNA)
where:
Base-Base interactions energy: -26.843
where: short stacking energy: -20.109
Base-Backbone interact. energy: -0.101
local terms energy: -62.214569
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -10.916
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: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -79.033606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.033606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.033606 (E_RNA)
where:
Base-Base interactions energy: -28.578
where: short stacking energy: -27.164
Base-Backbone interact. energy: -0.631
local terms energy: -49.825127
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/pbt-A1-13c95582_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -226.239948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.239948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.239948 (E_RNA)
where:
Base-Base interactions energy: -143.369
where: short stacking energy: -79.091
Base-Backbone interact. energy: -0.069
local terms energy: -82.801875
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -224.860713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.860713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.860713 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -80.621
Base-Backbone interact. energy: -0.009
local terms energy: -81.372947
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -217.515104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.515104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.515104 (E_RNA)
where:
Base-Base interactions energy: -138.652
where: short stacking energy: -72.351
Base-Backbone interact. energy: -0.004
local terms energy: -78.859395
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -13.842
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: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -207.460517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.460517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.460517 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -76.236
Base-Backbone interact. energy: -0.049
local terms energy: -73.858684
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -196.168744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.168744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.168744 (E_RNA)
where:
Base-Base interactions energy: -118.830
where: short stacking energy: -61.585
Base-Backbone interact. energy: -0.101
local terms energy: -77.238532
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -108.717736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.717736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.717736 (E_RNA)
where:
Base-Base interactions energy: -43.907
where: short stacking energy: -43.907
Base-Backbone interact. energy: -0.054
local terms energy: -64.757171
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -173.140665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.140665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.140665 (E_RNA)
where:
Base-Base interactions energy: -109.084
where: short stacking energy: -58.340
Base-Backbone interact. energy: 0.203
local terms energy: -64.259910
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -12.304
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: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -94.386301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.386301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.386301 (E_RNA)
where:
Base-Base interactions energy: -33.006
where: short stacking energy: -34.206
Base-Backbone interact. energy: -0.183
local terms energy: -61.197619
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -8.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -102.139200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.139200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.139200 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.037
local terms energy: -65.569938
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -9.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -91.245903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.245903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.245903 (E_RNA)
where:
Base-Base interactions energy: -40.684
where: short stacking energy: -40.684
Base-Backbone interact. energy: -0.130
local terms energy: -50.431961
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -9.313
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -8.635
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -230.672258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.672258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.672258 (E_RNA)
where:
Base-Base interactions energy: -148.069
where: short stacking energy: -83.531
Base-Backbone interact. energy: -0.001
local terms energy: -82.602127
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -220.147060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.147060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.147060 (E_RNA)
where:
Base-Base interactions energy: -137.023
where: short stacking energy: -78.634
Base-Backbone interact. energy: 0.118
local terms energy: -83.242213
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -218.268004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.268004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.268004 (E_RNA)
where:
Base-Base interactions energy: -140.101
where: short stacking energy: -73.625
Base-Backbone interact. energy: -0.067
local terms energy: -78.099990
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -15.685
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -214.331858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.331858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.331858 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -76.933
Base-Backbone interact. energy: -0.091
local terms energy: -78.862076
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.616
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: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -193.282380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.282380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.282380 (E_RNA)
where:
Base-Base interactions energy: -124.789
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.135
local terms energy: -68.358956
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -181.417264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.417264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.417264 (E_RNA)
where:
Base-Base interactions energy: -113.092
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.225
local terms energy: -68.100270
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -99.326022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.326022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.326022 (E_RNA)
where:
Base-Base interactions energy: -43.110
where: short stacking energy: -43.110
Base-Backbone interact. energy: -0.019
local terms energy: -56.196659
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -90.546421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.546421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.546421 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -31.367
Base-Backbone interact. energy: -0.015
local terms energy: -59.164276
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -89.806453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.806453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.806453 (E_RNA)
where:
Base-Base interactions energy: -38.589
where: short stacking energy: -27.911
Base-Backbone interact. energy: 1.201
local terms energy: -52.418021
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -9.585
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: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -82.229820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.229820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.229820 (E_RNA)
where:
Base-Base interactions energy: -38.683
where: short stacking energy: -19.761
Base-Backbone interact. energy: -0.245
local terms energy: -43.301618
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: 3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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: 478
Temperature: 0.900000
Total energy: -228.614905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.614905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.614905 (E_RNA)
where:
Base-Base interactions energy: -148.242
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.011
local terms energy: -80.362251
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -222.983923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.983923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.983923 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -72.479
Base-Backbone interact. energy: -0.075
local terms energy: -87.097302
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -12.299
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: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -208.545343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.545343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.545343 (E_RNA)
where:
Base-Base interactions energy: -128.462
where: short stacking energy: -73.809
Base-Backbone interact. energy: -0.024
local terms energy: -80.058993
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -21.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -213.819647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.819647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.819647 (E_RNA)
where:
Base-Base interactions energy: -139.437
where: short stacking energy: -72.790
Base-Backbone interact. energy: -0.000
local terms energy: -74.381871
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -13.675
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: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -186.848074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.848074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.848074 (E_RNA)
where:
Base-Base interactions energy: -120.302
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.020
local terms energy: -66.525608
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -13.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -183.833702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.833702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.833702 (E_RNA)
where:
Base-Base interactions energy: -109.192
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.202
local terms energy: -74.439903
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -15.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -89.865999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.865999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.865999 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -34.081
Base-Backbone interact. energy: -0.144
local terms energy: -55.641417
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -96.431310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.431310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.431310 (E_RNA)
where:
Base-Base interactions energy: -38.307
where: short stacking energy: -34.237
Base-Backbone interact. energy: 0.157
local terms energy: -58.280994
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -6.003
tors. eta vs tors. theta energy: -5.658
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: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -87.195466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.195466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.195466 (E_RNA)
where:
Base-Base interactions energy: -27.892
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.061
local terms energy: -59.241931
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -10.593
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: 10, replica: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -82.963282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.963282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.963282 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -27.821
Base-Backbone interact. energy: -0.787
local terms energy: -51.372819
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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: 479
Temperature: 0.900000
Total energy: -212.968426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.968426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.968426 (E_RNA)
where:
Base-Base interactions energy: -134.275
where: short stacking energy: -77.025
Base-Backbone interact. energy: -0.392
local terms energy: -78.301595
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -23.059
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: 479
Temperature: 0.950000
Total energy: -208.441033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.441033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.441033 (E_RNA)
where:
Base-Base interactions energy: -133.040
where: short stacking energy: -63.424
Base-Backbone interact. energy: -0.302
local terms energy: -75.098879
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -17.871
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -211.733735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.733735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.733735 (E_RNA)
where:
Base-Base interactions energy: -132.746
where: short stacking energy: -72.180
Base-Backbone interact. energy: -0.002
local terms energy: -78.986067
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -19.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -208.931489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.931489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.931489 (E_RNA)
where:
Base-Base interactions energy: -132.410
where: short stacking energy: -68.751
Base-Backbone interact. energy: -0.007
local terms energy: -76.514774
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -194.783298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.783298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.783298 (E_RNA)
where:
Base-Base interactions energy: -121.963
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.088
local terms energy: -72.732769
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -177.907880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.907880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.907880 (E_RNA)
where:
Base-Base interactions energy: -112.415
where: short stacking energy: -54.154
Base-Backbone interact. energy: -0.552
local terms energy: -64.940712
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -104.214763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.214763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.214763 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -46.618
Base-Backbone interact. energy: -0.110
local terms energy: -57.481135
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -99.803770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.803770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.803770 (E_RNA)
where:
Base-Base interactions energy: -45.681
where: short stacking energy: -45.681
Base-Backbone interact. energy: -0.069
local terms energy: -54.054307
where:
bonds (distance) C4'-P energy: -7.494
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -10.970
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: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -81.189673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.189673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.189673 (E_RNA)
where:
Base-Base interactions energy: -25.555
where: short stacking energy: -23.771
Base-Backbone interact. energy: 0.310
local terms energy: -55.945271
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -2.046
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: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -76.565407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.565407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.565407 (E_RNA)
where:
Base-Base interactions energy: -28.650
where: short stacking energy: -28.650
Base-Backbone interact. energy: -0.191
local terms energy: -47.724391
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -5.303
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -8.957
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE